 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-31034.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31053.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:36 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618060030 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.4802965700 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              29.1 elap:               4.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:45 2021, MaxMem=  6442450944 cpu:               3.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:51 2021, MaxMem=  6442450944 cpu:              37.3 elap:               5.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327622747808    
 DIIS: error= 2.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327622747808     IErMin= 1 ErrMin= 2.69D-03
 ErrMax= 2.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.70D-02 MaxDP=8.96D-01              OVMax= 1.59D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-02    CP:  1.38D+00
 E= -656.337523745736     Delta-E=       -0.009900997928 Rises=F Damp=F
 DIIS: error= 7.23D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337523745736     IErMin= 2 ErrMin= 7.23D-04
 ErrMax= 7.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.23D-03
 Coeff-Com:  0.364D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.361D-01 0.964D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=8.73D-04 MaxDP=4.96D-02 DE=-9.90D-03 OVMax= 7.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.70D-04    CP:  1.40D+00  1.04D+00
 E= -656.337376079188     Delta-E=        0.000147666548 Rises=F Damp=F
 DIIS: error= 8.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337523745736     IErMin= 2 ErrMin= 7.23D-04
 ErrMax= 8.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.40D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 2.55D-01 WtEn= 7.45D-01
 Coeff-Com: -0.135D-01 0.570D+00 0.444D+00
 Coeff-En:   0.000D+00 0.586D+00 0.414D+00
 Coeff:     -0.344D-02 0.582D+00 0.422D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=5.79D-03 DE= 1.48D-04 OVMax= 3.98D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.93D-05    CP:  1.40D+00  1.04D+00  7.52D-01
 E= -656.337844979306     Delta-E=       -0.000468900118 Rises=F Damp=F
 DIIS: error= 1.63D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337844979306     IErMin= 4 ErrMin= 1.63D-04
 ErrMax= 1.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-05 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.63D-03
 Coeff-Com: -0.848D-02 0.269D+00 0.215D+00 0.525D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.847D-02 0.268D+00 0.214D+00 0.526D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.28D-05 MaxDP=1.56D-03 DE=-4.69D-04 OVMax= 8.47D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.37D-05    CP:  1.39D+00  1.04D+00  6.95D-01  9.88D-01
 E= -656.337853050177     Delta-E=       -0.000008070870 Rises=F Damp=F
 DIIS: error= 4.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337853050177     IErMin= 5 ErrMin= 4.67D-05
 ErrMax= 4.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 1.03D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-02 0.668D-01 0.542D-01 0.290D+00 0.592D+00
 Coeff:     -0.286D-02 0.668D-01 0.542D-01 0.290D+00 0.592D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.24D-05 MaxDP=6.19D-04 DE=-8.07D-06 OVMax= 5.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.64D-06    CP:  1.40D+00  1.04D+00  7.04D-01  9.78D-01  8.50D-01
 E= -656.337853954438     Delta-E=       -0.000000904261 Rises=F Damp=F
 DIIS: error= 1.90D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337853954438     IErMin= 6 ErrMin= 1.90D-05
 ErrMax= 1.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-07 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-03 0.478D-02 0.433D-02 0.120D+00 0.421D+00 0.451D+00
 Coeff:     -0.661D-03 0.478D-02 0.433D-02 0.120D+00 0.421D+00 0.451D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.72D-06 MaxDP=2.16D-04 DE=-9.04D-07 OVMax= 2.46D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.37D-06    CP:  1.40D+00  1.04D+00  7.06D-01  9.69D-01  8.44D-01
                    CP:  7.97D-01
 E= -656.337854427037     Delta-E=       -0.000000472599 Rises=F Damp=F
 DIIS: error= 1.87D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337854427037     IErMin= 7 ErrMin= 1.87D-06
 ErrMax= 1.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-09 BMatP= 5.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-03-0.150D-02-0.106D-02 0.289D-01 0.128D+00 0.169D+00
 Coeff-Com:  0.676D+00
 Coeff:     -0.106D-03-0.150D-02-0.106D-02 0.289D-01 0.128D+00 0.169D+00
 Coeff:      0.676D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.35D-06 MaxDP=7.54D-05 DE=-4.73D-07 OVMax= 1.85D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.40D+00  1.04D+00  7.06D-01  9.75D-01  8.54D-01
                    CP:  7.76D-01  8.34D-01
 E= -656.337854431572     Delta-E=       -0.000000004535 Rises=F Damp=F
 DIIS: error= 7.64D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337854431572     IErMin= 8 ErrMin= 7.64D-07
 ErrMax= 7.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-10 BMatP= 5.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.963D-05-0.107D-02-0.823D-03 0.626D-02 0.372D-01 0.545D-01
 Coeff-Com:  0.350D+00 0.554D+00
 Coeff:     -0.963D-05-0.107D-02-0.823D-03 0.626D-02 0.372D-01 0.545D-01
 Coeff:      0.350D+00 0.554D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.76D-07 MaxDP=1.34D-05 DE=-4.53D-09 OVMax= 1.07D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.80D-07    CP:  1.40D+00  1.04D+00  7.06D-01  9.76D-01  8.52D-01
                    CP:  7.76D-01  8.16D-01  8.33D-01
 E= -656.337854432420     Delta-E=       -0.000000000848 Rises=F Damp=F
 DIIS: error= 2.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337854432420     IErMin= 9 ErrMin= 2.75D-07
 ErrMax= 2.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-11 BMatP= 9.82D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.671D-05-0.369D-03-0.289D-03-0.213D-03 0.459D-02 0.807D-02
 Coeff-Com:  0.106D+00 0.288D+00 0.595D+00
 Coeff:      0.671D-05-0.369D-03-0.289D-03-0.213D-03 0.459D-02 0.807D-02
 Coeff:      0.106D+00 0.288D+00 0.595D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=8.03D-06 DE=-8.48D-10 OVMax= 4.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.63D-08    CP:  1.40D+00  1.04D+00  7.06D-01  9.75D-01  8.53D-01
                    CP:  7.77D-01  8.37D-01  8.03D-01  6.18D-01
 E= -656.337854432560     Delta-E=       -0.000000000140 Rises=F Damp=F
 DIIS: error= 9.01D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337854432560     IErMin=10 ErrMin= 9.01D-08
 ErrMax= 9.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 9.82D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.473D-05-0.155D-03-0.121D-03-0.551D-03 0.431D-03 0.117D-02
 Coeff-Com:  0.405D-01 0.135D+00 0.354D+00 0.469D+00
 Coeff:      0.473D-05-0.155D-03-0.121D-03-0.551D-03 0.431D-03 0.117D-02
 Coeff:      0.405D-01 0.135D+00 0.354D+00 0.469D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.08D-08 MaxDP=1.95D-06 DE=-1.40D-10 OVMax= 1.81D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.81D-08    CP:  1.40D+00  1.04D+00  7.06D-01  9.75D-01  8.53D-01
                    CP:  7.78D-01  8.36D-01  8.08D-01  6.49D-01  6.74D-01
 E= -656.337854432603     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 2.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.337854432603     IErMin=11 ErrMin= 2.22D-08
 ErrMax= 2.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-13 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-05-0.226D-04-0.168D-04-0.272D-03-0.453D-03-0.761D-03
 Coeff-Com:  0.472D-02 0.251D-01 0.915D-01 0.248D+00 0.632D+00
 Coeff:      0.140D-05-0.226D-04-0.168D-04-0.272D-03-0.453D-03-0.761D-03
 Coeff:      0.472D-02 0.251D-01 0.915D-01 0.248D+00 0.632D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=6.01D-07 DE=-4.32D-11 OVMax= 4.42D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.31D-09    CP:  1.40D+00  1.04D+00  7.06D-01  9.75D-01  8.53D-01
                    CP:  7.77D-01  8.36D-01  8.11D-01  6.62D-01  7.14D-01
                    CP:  7.16D-01
 E= -656.337854432518     Delta-E=        0.000000000085 Rises=F Damp=F
 DIIS: error= 5.90D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.337854432603     IErMin=12 ErrMin= 5.90D-09
 ErrMax= 5.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.44D-14 BMatP= 9.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-06 0.186D-06 0.107D-05-0.962D-04-0.229D-03-0.486D-03
 Coeff-Com: -0.621D-03 0.237D-02 0.193D-01 0.902D-01 0.321D+00 0.568D+00
 Coeff:      0.340D-06 0.186D-06 0.107D-05-0.962D-04-0.229D-03-0.486D-03
 Coeff:     -0.621D-03 0.237D-02 0.193D-01 0.902D-01 0.321D+00 0.568D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.20D-09 MaxDP=1.26D-07 DE= 8.53D-11 OVMax= 1.14D-07

 SCF Done:  E(RB3LYP) =  -656.337854433     A.U. after   12 cycles
            NFock= 12  Conv=0.32D-08     -V/T= 2.0112
 KE= 6.490934745453D+02 PE=-3.463681853558D+03 EE= 1.187770228010D+03
 Leave Link  502 at Wed Sep  8 12:37:36 2021, MaxMem=  6442450944 cpu:            3593.4 elap:             465.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.58105150D+02

 Leave Link  801 at Wed Sep  8 12:37:37 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 3.30D-01 1.70D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 9.14D-02 8.91D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 9.26D-03 2.34D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.52D-03 1.43D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.60D-04 2.22D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 6.74D-06 5.72D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.81D-07 7.62D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 3.46D-09 7.78D-06.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 8.03D-11 1.11D-06.
      8 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 1.39D-12 1.55D-07.
      4 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.18D-14 2.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.224109D+03
      2  0.924788D+01  0.137565D+03
      3 -0.438056D+01  0.706959D+01  0.150335D+03
 Isotropic polarizability for W=    0.088559      170.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.259196D+03 -0.745552D+02 -0.508279D+02
      2   0.140927D+03  0.679468D+02  0.199453D+01
      3   0.118269D+03  0.660834D+01  0.488334D+02
      4  -0.103705D+02 -0.975767D+02 -0.280950D+02
      5  -0.468043D+02 -0.261378D+02 -0.753072D+02
      6  -0.691785D+01 -0.231502D+02  0.188938D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.668936D+01 -0.140980D+01 -0.589315D+01
      2  -0.429466D+02 -0.159200D+02 -0.359752D+02
      3   0.286670D+02  0.540070D+02  0.848800D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.195720D+01 -0.251448D+02 -0.122854D+02
      2  -0.402364D+01 -0.211772D+02 -0.193576D+03
      3   0.641847D+02  0.238504D+03  0.192200D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.322671D+01  0.744305D+01  0.793954D+00
      2   0.744305D+01  0.229439D+01  0.110793D+01
      3   0.793954D+00  0.110793D+01  0.189663D+00
 OR G Eigenvalues:    -8.4047    -0.0570     7.7190  Iso=     0.2476
 Eigenvectors:
   (1)   0.821005  -0.570917  -0.002246
   (2)  -0.099876  -0.147498   0.984007
   (3)   0.562118   0.807650   0.178117
 w=    0.088559 a.u., Optical Rotation Beta=      0.2476 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       60.85 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.04D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.30D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 4.70D-02 3.47D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 1.57D-03 7.28D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 3.69D-05 1.25D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 6.09D-07 1.49D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 7.10D-09 1.06D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 5.45D-11 6.22D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.09D-13 5.33D-08.
      1 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 7.33D-16 3.17D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.69D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.69D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.36D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224109D+03  0.924788D+01 -0.438056D+01
      2   0.924788D+01  0.137565D+03  0.706959D+01
      3  -0.438056D+01  0.706959D+01  0.150335D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.668936D+01 -0.140980D+01 -0.589315D+01
      2  -0.429466D+02 -0.159200D+02 -0.359752D+02
      3   0.286670D+02  0.540070D+02  0.848800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.259196D+03 -0.745552D+02 -0.508279D+02
      2   0.140927D+03  0.679468D+02  0.199453D+01
      3   0.118269D+03  0.660834D+01  0.488334D+02
      4  -0.103705D+02 -0.975767D+02 -0.280950D+02
      5  -0.468043D+02 -0.261378D+02 -0.753072D+02
      6  -0.691785D+01 -0.231502D+02  0.188938D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113121D+02  0.231657D+01 -0.868528D+00 -0.105757D+00 -0.123615D+00
      2   0.231657D+01  0.236092D+00  0.313012D+00 -0.123615D+00 -0.367602D+01
      3  -0.868528D+00  0.313012D+00 -0.160079D+01  0.162470D+01 -0.157108D+01
                 6             7             8             9            10 
      1   0.162470D+01 -0.133108D+02 -0.112088D+01  0.296561D+00 -0.334514D+02
      2  -0.157108D+01 -0.112088D+01  0.133207D-01  0.120746D+01 -0.354131D+01
      3   0.887197D+00  0.296561D+00  0.120746D+01 -0.154264D+01 -0.339813D+00
                11            12            13            14            15 
      1  -0.354131D+01 -0.339813D+00 -0.797937D+01 -0.523051D+01  0.123173D+01
      2  -0.178970D+01 -0.749391D+00 -0.523051D+01 -0.296555D+01  0.406727D+00
      3  -0.749391D+00 -0.271019D+01  0.123173D+01  0.406727D+00 -0.680728D+00
                16            17            18            19            20 
      1  -0.153755D+01  0.161787D+01 -0.128255D+01 -0.987661D+01 -0.262014D+01
      2   0.161787D+01  0.586581D+00 -0.141476D+00 -0.262014D+01  0.162797D+01
      3  -0.128255D+01 -0.141476D+00  0.151902D+01  0.433396D+00  0.147394D+01
                21            22            23            24            25 
      1   0.433396D+00 -0.949159D+01 -0.653142D-01  0.809571D+00 -0.125112D+02
      2   0.147394D+01 -0.653142D-01 -0.141963D+01 -0.162914D+01 -0.281279D+01
      3   0.109582D+01  0.809571D+00 -0.162914D+01  0.203496D+01  0.420957D+00
                26            27            28            29            30 
      1  -0.281279D+01  0.420957D+00  0.308826D+02  0.469310D+01 -0.172586D+01
      2  -0.123897D+01  0.123973D+01  0.469310D+01  0.231988D+01  0.749598D-01
      3   0.123973D+01 -0.236319D+01 -0.172586D+01  0.749598D-01  0.250179D+01
                31            32            33            34            35 
      1   0.501239D+01  0.593905D+01 -0.164257D+01 -0.114196D+01 -0.121561D+01
      2   0.593905D+01  0.218517D+01 -0.768415D+00 -0.121561D+01 -0.171234D+01
      3  -0.164257D+01 -0.768415D+00  0.153058D+01  0.112661D+01  0.391316D+00
                36            37            38            39            40 
      1   0.112661D+01 -0.136715D+02 -0.299335D+01  0.119971D+01 -0.145046D+01
      2   0.391316D+00 -0.299335D+01 -0.352265D+00 -0.371278D+00  0.794074D+00
      3   0.793927D+00  0.119971D+01 -0.371278D+00  0.322227D+01 -0.172021D+01
                41            42            43            44            45 
      1   0.794074D+00 -0.172021D+01  0.153779D+02  0.962425D+00 -0.159120D+01
      2   0.390086D+01  0.194613D+01  0.962425D+00  0.678286D+00 -0.146033D+01
      3   0.194613D+01 -0.940715D+00 -0.159120D+01 -0.146033D+01  0.126515D+01
                46            47            48            49            50 
      1   0.120087D+02  0.262338D+01 -0.657334D+00  0.118491D+02 -0.556895D+00
      2   0.262338D+01 -0.146526D+01 -0.141635D+01 -0.556895D+00  0.115935D+01
      3  -0.657334D+00 -0.141635D+01 -0.207214D+01 -0.266641D+00  0.203864D+01
                51            52            53            54            55 
      1  -0.266641D+00  0.118787D+02  0.248920D+01  0.108271D+01  0.200181D+02
      2   0.203864D+01  0.248920D+01  0.130407D+01 -0.120906D+01 -0.170545D+00
      3  -0.330554D+01  0.108271D+01 -0.120906D+01  0.152538D+01  0.122386D+01
                56            57            58            59            60 
      1  -0.170545D+00  0.122386D+01 -0.468730D+01  0.471144D+01 -0.133759D+01
      2   0.152756D+01 -0.596130D+00  0.471144D+01  0.601897D+01  0.170118D+01
      3  -0.596130D+00  0.206516D+01 -0.133759D+01  0.170118D+01  0.142594D+00
                61            62            63            64            65 
      1   0.915839D+01 -0.707171D+00  0.408517D+01 -0.489773D+01  0.420031D+01
      2  -0.707171D+00  0.281915D+01  0.107426D+01  0.420031D+01 -0.872152D+00
      3   0.408517D+01  0.107426D+01 -0.451695D+01  0.141794D+00  0.127906D+01
                66            67            68            69            70 
      1   0.141794D+00  0.139060D+02 -0.184844D+01  0.238842D+01 -0.724872D+01
      2   0.127906D+01 -0.184844D+01 -0.442262D+01 -0.183952D+01  0.115625D+01
      3  -0.325626D+01  0.238842D+01 -0.183952D+01  0.405462D+00 -0.504965D+01
                71            72            73            74            75 
      1   0.115625D+01 -0.504965D+01 -0.315016D+01 -0.480920D+01  0.671208D+00
      2  -0.261948D+01  0.798069D-01 -0.480920D+01  0.102603D+01 -0.133987D+01
      3   0.798069D-01  0.606767D+01  0.671208D+00 -0.133987D+01  0.288250D+01
                76            77            78            79            80 
      1  -0.624954D+01  0.125104D+01 -0.175071D+01  0.196613D+01 -0.170729D+01
      2   0.125104D+01  0.182500D+01  0.249716D+01 -0.170729D+01  0.355563D+01
      3  -0.175071D+01  0.249716D+01 -0.103831D+01  0.400091D+01 -0.173343D+01
                81            82            83            84            85 
      1   0.400091D+01 -0.240653D+01 -0.406099D+01  0.152491D-01 -0.693992D+01
      2  -0.173343D+01 -0.406099D+01  0.662225D+00 -0.168971D+01  0.233384D+01
      3  -0.428717D+01  0.152491D-01 -0.168971D+01  0.348793D+01 -0.223809D+01
                86            87            88            89            90 
      1   0.233384D+01 -0.223809D+01  0.158563D+01 -0.185322D+01  0.523021D+01
      2   0.504129D+01  0.344726D+01 -0.185322D+01  0.341262D+01  0.326838D+00
      3   0.344726D+01 -0.243761D+00  0.523021D+01  0.326838D+00 -0.310675D+01
                91            92            93            94            95 
      1  -0.645123D+01  0.125208D+00 -0.558056D+00  0.505420D+01 -0.650755D+01
      2   0.125208D+00 -0.257777D+01  0.549628D+00 -0.650755D+01 -0.641163D+00
      3  -0.558056D+00  0.549628D+00 -0.132566D+01  0.118142D+01  0.119831D+01
                96            97            98            99           100 
      1   0.118142D+01  0.243301D+01  0.197749D+01 -0.224976D+01 -0.353966D+01
      2   0.119831D+01  0.197749D+01  0.310605D+01 -0.344472D+01 -0.112595D+00
      3  -0.269937D+01 -0.224976D+01 -0.344472D+01 -0.315099D+01  0.227064D+01
               101           102           103           104           105 
      1  -0.112595D+00  0.227064D+01  0.208105D+00  0.253995D+01 -0.628117D+00
      2   0.156648D+01 -0.108518D+00  0.253995D+01 -0.252454D+01 -0.158207D+00
      3  -0.108518D+00 -0.127964D+01 -0.628117D+00 -0.158207D+00  0.224261D+01
               106           107           108           109           110 
      1   0.603772D+01 -0.233992D+01 -0.265353D+01  0.565291D+01 -0.125101D+01
      2  -0.233992D+01  0.118155D+01  0.253628D+01 -0.125101D+01  0.534578D+00
      3  -0.265353D+01  0.253628D+01  0.325737D+01 -0.390163D+01  0.293675D+00
               111           112           113           114           115 
      1  -0.390163D+01 -0.384777D+01  0.151427D+01  0.994568D+00 -0.119544D+02
      2   0.293675D+00  0.151427D+01 -0.150539D+01 -0.212656D+01  0.212377D+01
      3   0.236603D+01  0.994568D+00 -0.212656D+01 -0.197926D+01  0.455090D+01
               116           117           118           119           120 
      1   0.212377D+01  0.455090D+01 -0.227246D+00  0.195868D+01  0.117485D+01
      2  -0.334096D+01 -0.157287D+01  0.195868D+01 -0.331885D+01  0.343164D+00
      3  -0.157287D+01 -0.870999D+01  0.117485D+01  0.343164D+00  0.169518D+00
               121           122           123           124           125 
      1   0.150729D+01 -0.360009D+01  0.497514D+00  0.613779D+01 -0.109208D+01
      2  -0.360009D+01  0.393838D+01  0.875558D+00 -0.109208D+01  0.197311D+01
      3   0.497514D+00  0.875558D+00 -0.293213D+00  0.191854D+01 -0.204764D+01
               126           127           128           129           130 
      1   0.191854D+01 -0.206769D+01 -0.115939D+01 -0.164550D+01 -0.159641D+01
      2  -0.204764D+01 -0.115939D+01 -0.993470D+00 -0.107562D+01 -0.930649D+00
      3   0.454235D+01 -0.164550D+01 -0.107562D+01 -0.144287D+01 -0.160946D+01
               131           132           133           134           135 
      1  -0.930649D+00 -0.160946D+01 -0.191626D+01 -0.121934D+01 -0.211746D+01
      2  -0.151024D+01 -0.167826D+01 -0.121934D+01 -0.228682D+01 -0.283886D+01
      3  -0.167826D+01 -0.273307D+01 -0.211746D+01 -0.283886D+01 -0.546366D+01
               136           137           138           139           140 
      1   0.347372D+01 -0.237252D+00 -0.207017D+01 -0.615038D+00  0.233690D+00
      2  -0.237252D+00  0.453272D+00  0.231806D+00  0.233690D+00 -0.472936D+00
      3  -0.207017D+01  0.231806D+00  0.205315D+01  0.574174D+00 -0.520845D+00
               141           142           143           144           145 
      1   0.574174D+00 -0.260342D+01  0.749492D+00  0.279378D+01  0.203975D+01
      2  -0.520845D+00  0.749492D+00 -0.100153D+01 -0.119046D+01  0.129121D+01
      3  -0.158802D+01  0.279378D+01 -0.119046D+01 -0.514314D+01  0.182326D+01
               146           147           148           149           150 
      1   0.129121D+01  0.182326D+01  0.118948D+01  0.824999D+00  0.152057D+01
      2   0.977229D+00  0.113875D+01  0.824999D+00  0.111540D+01  0.156865D+01
      3   0.113875D+01  0.187659D+01  0.152057D+01  0.156865D+01  0.300156D+01
               151           152           153           154           155 
      1   0.178284D+01  0.118908D+01  0.231264D+01 -0.316135D+01  0.314411D+00
      2   0.118908D+01  0.213137D+01  0.281533D+01  0.314411D+00 -0.275493D+00
      3   0.231264D+01  0.281533D+01  0.646494D+01  0.262996D+01 -0.250998D+00
               156           157           158           159           160 
      1   0.262996D+01  0.433308D+00 -0.255535D+00 -0.502871D+00  0.296517D+01
      2  -0.250998D+00 -0.255535D+00  0.314647D+00  0.512963D+00 -0.708610D+00
      3  -0.303580D+01 -0.502871D+00  0.512963D+00  0.169995D+01 -0.339458D+01
               161           162           163           164           165 
      1  -0.708610D+00 -0.339458D+01 -0.245951D+01 -0.866777D-01  0.162952D+01
      2   0.912728D+00  0.116093D+01 -0.866777D-01 -0.694726D+00  0.605624D+00
      3   0.116093D+01  0.670570D+01  0.162952D+01  0.605624D+00 -0.173962D+01
               166           167           168           169           170 
      1   0.194560D+01 -0.701410D+00  0.272660D+00  0.376783D+01  0.805269D+00
      2  -0.701410D+00 -0.920473D+00  0.757734D+00  0.805269D+00  0.120087D+01
      3   0.272660D+00  0.757734D+00 -0.172707D+00 -0.227263D+01 -0.151308D+01
               171           172           173           174           175 
      1  -0.227263D+01 -0.216631D+01 -0.136468D+01 -0.643750D+00 -0.374410D+01
      2  -0.151308D+01 -0.136468D+01 -0.957988D+00  0.210350D-01 -0.298546D+01
      3   0.579826D+01 -0.643750D+00  0.210350D-01 -0.247760D+00 -0.330262D+00
               176           177           178           179           180 
      1  -0.298546D+01 -0.330262D+00 -0.515045D+01 -0.100344D+01 -0.117796D+01
      2  -0.867996D+01 -0.100190D+01 -0.100344D+01 -0.239900D+01 -0.131669D+01
      3  -0.100190D+01 -0.854440D+00 -0.117796D+01 -0.131669D+01 -0.432753D+00
               181           182           183           184           185 
      1   0.229435D+01 -0.775362D+00 -0.127442D+01 -0.173471D+01  0.251260D+00
      2  -0.775362D+00  0.503031D+00 -0.286435D+00  0.251260D+00  0.598795D+00
      3  -0.127442D+01 -0.286435D+00  0.152132D+01 -0.197155D+00 -0.707308D+00
               186           187           188           189           190 
      1  -0.197155D+00 -0.215435D+01 -0.223430D+00  0.104189D+01 -0.141217D+01
      2  -0.707308D+00 -0.223430D+00 -0.105977D+01  0.344717D-01  0.971837D+00
      3   0.128265D+00  0.104189D+01  0.344717D-01 -0.699959D+01  0.141181D+01
               191           192           193           194           195 
      1   0.971837D+00  0.141181D+01  0.472544D+00 -0.542220D+00 -0.230490D-01
      2  -0.921266D+00 -0.322811D+00 -0.542220D+00  0.395528D+00  0.644419D+00
      3  -0.322811D+00 -0.188983D+01 -0.230490D-01  0.644419D+00  0.318136D+00
               196           197           198           199           200 
      1   0.237232D+01 -0.647519D+00 -0.229927D+01 -0.413262D+01  0.327714D+01
      2  -0.647519D+00  0.168416D+01  0.154380D+01  0.327714D+01 -0.302424D+01
      3  -0.229927D+01  0.154380D+01  0.608452D+01 -0.151044D+01  0.105204D+01
               201           202           203           204           205 
      1  -0.151044D+01  0.283020D+01 -0.311786D+01  0.123499D+01 -0.287326D+01
      2   0.105204D+01 -0.311786D+01  0.437089D+01 -0.186696D+01  0.198308D+01
      3  -0.140940D+01  0.123499D+01 -0.186696D+01  0.130864D+01 -0.204728D+01
               206           207           208           209           210 
      1   0.198308D+01 -0.204728D+01  0.801628D+01  0.167689D+01  0.224058D+00
      2  -0.310367D+01  0.186724D+01  0.167689D+01  0.273117D+01  0.158627D+00
      3   0.186724D+01 -0.170793D+01  0.224058D+00  0.158627D+00  0.453119D+00
               211           212           213           214           215 
      1   0.161929D+01  0.156390D+01  0.145459D+00  0.380955D+00  0.310877D-01
      2   0.156390D+01  0.208174D+01 -0.162475D+00  0.310877D-01 -0.355479D+00
      3   0.145459D+00 -0.162475D+00  0.545360D+00  0.122298D+00  0.691627D+00
               216           217           218           219           220 
      1   0.122298D+00 -0.305427D+01 -0.113370D+00  0.183929D+01  0.431907D+00
      2   0.691627D+00 -0.113370D+00 -0.549541D+00  0.377819D+00 -0.100792D+01
      3   0.392814D+00  0.183929D+01  0.377819D+00 -0.193145D+01  0.323295D+00
               221           222           223           224           225 
      1  -0.100792D+01  0.323295D+00  0.464483D+01  0.972654D+00 -0.329982D+01
      2  -0.792089D+00  0.456899D+00  0.972654D+00  0.110730D+01 -0.655249D+00
      3   0.456899D+00 -0.194234D+00 -0.329982D+01 -0.655249D+00  0.520404D+01
               226           227           228           229           230 
      1  -0.929537D-01 -0.806741D+00 -0.393282D+00 -0.253101D+01 -0.263375D+01
      2  -0.806741D+00 -0.411867D+00 -0.520974D-01 -0.263375D+01 -0.780451D+01
      3  -0.393282D+00 -0.520974D-01 -0.401664D+00 -0.759410D+00 -0.249841D+01
               231           232           233           234           235 
      1  -0.759410D+00 -0.121270D+01 -0.632305D+00 -0.132754D+01 -0.646555D+01
      2  -0.249841D+01 -0.632305D+00 -0.259073D+01 -0.172580D+01  0.197552D+01
      3  -0.176932D+01 -0.132754D+01 -0.172580D+01 -0.136221D+01 -0.261273D+01
               236           237           238           239           240 
      1   0.197552D+01 -0.261273D+01  0.544735D+01 -0.211219D+01  0.191210D+01
      2  -0.123985D+01  0.911466D+00 -0.211219D+01  0.162165D+01 -0.146138D+01
      3   0.911466D+00 -0.202390D+01  0.191210D+01 -0.146138D+01  0.155812D+01
               241           242           243           244           245 
      1  -0.460184D+01  0.109594D+01 -0.335331D+01 -0.168858D+00  0.355109D+00
      2   0.109594D+01 -0.157692D+01  0.958795D+00  0.355109D+00  0.740573D+00
      3  -0.335331D+01  0.958795D+00 -0.250287D+01  0.172557D+01  0.353342D+00
               246           247           248           249           250 
      1   0.172557D+01  0.495208D+00  0.130252D+01  0.500961D+00  0.288163D+01
      2   0.353342D+00  0.130252D+01  0.174653D+01  0.120777D+01  0.717214D+00
      3   0.106927D+01  0.500961D+00  0.120777D+01  0.174807D+01  0.171364D+01
               251           252           253           254           255 
      1   0.717214D+00  0.171364D+01 -0.847877D+01 -0.596897D+01  0.105720D+01
      2   0.174153D+01  0.171751D+01 -0.596897D+01  0.171425D+01  0.495348D+00
      3   0.171751D+01  0.518533D+01  0.105720D+01  0.495348D+00  0.894464D+00
               256           257           258           259           260 
      1  -0.174996D+01  0.357065D+01 -0.718514D+00 -0.345440D+01 -0.133364D+01
      2   0.357065D+01 -0.557367D+00 -0.202453D+01 -0.133364D+01 -0.361448D+01
      3  -0.718514D+00 -0.202453D+01  0.286656D+01  0.232051D+01  0.275522D+01
               261           262           263           264           265 
      1   0.232051D+01  0.405261D+01 -0.336575D+01  0.111668D+01 -0.424942D+01
      2   0.275522D+01 -0.336575D+01  0.338568D+01 -0.766359D+00  0.486088D+01
      3   0.265386D+01  0.111668D+01 -0.766359D+00  0.962215D+00 -0.108179D+01
               266           267           268           269           270 
      1   0.486088D+01 -0.108179D+01 -0.994258D+00  0.101373D+01  0.480973D+00
      2  -0.671476D+01  0.134655D+01  0.101373D+01 -0.111309D+01 -0.502592D+00
      3   0.134655D+01 -0.144435D+01  0.480973D+00 -0.502592D+00  0.519442D+00
               271           272           273           274           275 
      1  -0.140690D+01  0.208504D+01  0.858468D-01  0.188818D+01 -0.152487D+01
      2   0.208504D+01 -0.355064D+01  0.289788D+00 -0.152487D+01  0.655126D+01
      3   0.858468D-01  0.289788D+00 -0.763155D+00 -0.536649D-01 -0.127018D-01
               276           277           278           279           280 
      1  -0.536649D-01  0.845750D+00  0.454927D-02 -0.478525D+00  0.361984D+00
      2  -0.127018D-01  0.454927D-02  0.156706D+01  0.492686D+00  0.204862D+00
      3   0.635998D+00 -0.478525D+00  0.492686D+00  0.869848D-03 -0.797022D+00
               281           282           283           284           285 
      1   0.204862D+00 -0.797022D+00 -0.724924D+00 -0.541893D+00  0.106600D+00
      2  -0.510800D+00  0.900110D-01 -0.541893D+00 -0.775375D+00 -0.263864D+00
      3   0.900110D-01 -0.787505D+00  0.106600D+00 -0.263864D+00 -0.128146D+01
               286           287           288           289           290 
      1  -0.161780D+01 -0.326730D+00  0.445766D-01  0.126259D+02  0.536806D+01
      2  -0.326730D+00 -0.139168D+01  0.865391D-01  0.536806D+01  0.349985D+01
      3   0.445766D-01  0.865391D-01 -0.617691D+01 -0.167537D+01 -0.102754D+01
               291           292           293           294           295 
      1  -0.167537D+01  0.340712D+01  0.259460D+01 -0.458622D+00  0.667934D-01
      2  -0.102754D+01  0.259460D+01  0.251714D+01 -0.314416D+00  0.548796D-01
      3   0.129648D+01 -0.458622D+00 -0.314416D+00  0.164437D+00  0.105218D+01
               296           297 
      1   0.548796D-01  0.105218D+01
      2   0.429549D+00  0.372436D+00
      3   0.372436D+00 -0.513879D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.237809D+01  0.525019D+00 -0.259780D+01  0.610919D+01  0.872457D+00
      2  -0.162966D+02  0.179328D+01  0.853604D+01  0.439980D+01 -0.639099D+00
      3  -0.228931D+01 -0.349018D+01 -0.398462D+01  0.132132D+02  0.294696D-01
                 6             7             8             9            10 
      1  -0.278739D+01 -0.536415D+01  0.199721D+01  0.872264D+00 -0.586615D+01
      2  -0.449785D+00  0.559887D+01 -0.137899D+01 -0.514348D+01  0.206653D+02
      3  -0.374325D+01 -0.309780D+01  0.101786D+01  0.494403D+01  0.179362D+01
                11            12            13            14            15 
      1   0.493680D+00  0.186304D+01  0.797400D+00 -0.472135D+01 -0.778532D+01
      2   0.180502D+01 -0.338486D+01 -0.867214D+00  0.150828D+01 -0.233836D+01
      3   0.161804D+01  0.106306D+01  0.128295D+02 -0.718488D+00 -0.888691D+00
                16            17            18            19            20 
      1   0.931915D+01  0.602486D+00  0.391322D+01 -0.108059D+01 -0.613452D+00
      2  -0.250356D+02 -0.203852D+01  0.329883D+01  0.112748D+02  0.310462D+01
      3   0.726235D+01 -0.149862D+01 -0.375060D+01 -0.605638D+01 -0.154144D+01
                21            22            23            24            25 
      1   0.474216D+00 -0.769652D+01 -0.413126D+01 -0.193253D+01  0.112904D+01
      2   0.517618D+01  0.975445D+01  0.426163D+01  0.154903D+01  0.464266D+01
      3  -0.611028D+00  0.108420D+02  0.275733D+01  0.254577D+01 -0.692913D+01
                26            27            28            29            30 
      1   0.227346D+01 -0.189872D+01  0.242752D+01  0.271879D+01  0.435360D+01
      2   0.191425D+01  0.213313D+01 -0.170418D+02 -0.433054D+01 -0.142155D+01
      3  -0.448394D+00 -0.202889D+01 -0.172218D+01 -0.112778D+00  0.172328D+01
                31            32            33            34            35 
      1   0.719208D+01 -0.151305D+01 -0.836556D+01  0.660348D+01  0.589377D+00
      2  -0.868677D+01 -0.587492D+01 -0.187614D+01 -0.266059D+02 -0.240036D+01
      3   0.104125D+02  0.479697D+01 -0.583305D-01  0.397475D+01  0.317884D+01
                36            37            38            39            40 
      1   0.369122D+01 -0.352796D+01 -0.362079D+00 -0.122500D+01  0.441330D+01
      2   0.272354D+01  0.609308D+01  0.497337D+01  0.490539D+01  0.520463D+01
      3  -0.322932D+01 -0.188576D+01 -0.259055D+01 -0.325025D+01  0.953592D+01
                41            42            43            44            45 
      1   0.420903D+01 -0.739717D+00 -0.482464D+00  0.212376D+01  0.237065D+00
      2   0.618109D+00 -0.346050D+00 -0.130998D+02 -0.324209D+01 -0.344808D+00
      3  -0.939954D+00 -0.409587D+01  0.228409D+01 -0.159523D+01  0.342430D+01
                46            47            48            49            50 
      1   0.489101D+01 -0.191772D+01 -0.964072D+00 -0.706503D+01 -0.132980D+01
      2  -0.837610D+01 -0.199329D+01  0.433458D+01 -0.494937D+01  0.763403D+00
      3  -0.427347D+01 -0.150127D+01 -0.581195D+00  0.972784D+01  0.263172D+01
                51            52            53            54            55 
      1  -0.205356D+01  0.454004D+01  0.327610D+01 -0.409007D+00  0.518217D+01
      2   0.318006D+01 -0.101445D+02 -0.116836D+01  0.349113D-01 -0.106052D+02
      3   0.361314D+01 -0.681803D+01  0.473271D+00 -0.176491D+01 -0.124160D+02
                56            57            58            59            60 
      1  -0.142043D+01  0.116100D+01 -0.375382D+01  0.660577D+01 -0.132717D+01
      2   0.142781D+01 -0.260997D+01  0.480000D+01 -0.101250D+02 -0.610409D+00
      3   0.251820D+01 -0.268041D+01  0.272463D+02  0.155085D+02  0.737138D+01
                61            62            63            64            65 
      1   0.512344D+01  0.376440D+01 -0.572850D+01 -0.527189D+01  0.628446D+00
      2  -0.271364D+02 -0.344590D+01  0.168856D+02  0.462933D+01 -0.383872D+01
      3  -0.952072D+01  0.921754D+01 -0.206203D+01  0.250352D+02 -0.800854D+01
                66            67            68            69            70 
      1  -0.284711D+00  0.840273D+00  0.101317D+01 -0.181106D+01 -0.443506D+01
      2   0.173584D+02 -0.115323D+02  0.936233D+01  0.334080D+00  0.204456D+02
      3   0.584970D+01 -0.894414D+01 -0.167947D+02 -0.825069D+01  0.120040D+02
                71            72            73            74            75 
      1   0.499714D+01 -0.559175D+00 -0.161582D+00  0.296247D+01 -0.567686D+01
      2  -0.663629D+00 -0.305275D+02 -0.165105D+01  0.717264D+01 -0.975906D+01
      3  -0.102371D+02  0.267803D+01 -0.293307D+02 -0.862124D+01 -0.527216D+01
                76            77            78            79            80 
      1   0.388351D+01 -0.708243D+01  0.505319D+00 -0.804206D+01  0.645675D+01
      2   0.926975D+01 -0.995873D+01  0.466130D+01 -0.187499D+02  0.740070D+01
      3  -0.260582D+01  0.821853D+01  0.703955D+01 -0.648953D+01  0.104605D+02
                81            82            83            84            85 
      1   0.813435D+01  0.236749D+01 -0.129514D+01  0.343819D+01 -0.256157D+01
      2   0.174412D+02 -0.246694D+01  0.723987D+01 -0.180923D+02  0.969834D+01
      3  -0.189529D+01 -0.209122D+02  0.508479D+01 -0.957195D+01  0.228545D+02
                86            87            88            89            90 
      1  -0.152539D+00 -0.344096D+01  0.537615D+01  0.187346D+00 -0.179898D+01
      2  -0.193442D+02 -0.114710D+01 -0.342291D+02 -0.364297D+01  0.198585D+02
      3   0.284517D+02  0.218215D+02 -0.106614D+02  0.205923D+02 -0.216175D+01
                91            92            93            94            95 
      1  -0.207821D+01 -0.546232D+00  0.221936D+01  0.133592D+01 -0.678277D+00
      2   0.155117D+01  0.194074D+01  0.566744D+00  0.241326D+01  0.594965D+01
      3  -0.133259D+02  0.255846D+01 -0.133401D+01  0.358390D+02 -0.235999D+01
                96            97            98            99           100 
      1  -0.824714D+00  0.572814D+01  0.794057D+01  0.273381D+01  0.282054D+01
      2  -0.989936D+01 -0.162585D+02 -0.122245D+02 -0.111584D+02  0.172067D+01
      3  -0.424833D+01 -0.257569D+01 -0.738870D+01  0.899994D+01  0.257879D+02
               101           102           103           104           105 
      1   0.321137D+01 -0.647157D+01 -0.113935D+01  0.112852D+01 -0.364048D+01
      2  -0.788018D+00 -0.685229D+00 -0.859628D+00 -0.185150D+01  0.167882D+02
      3  -0.107711D+02  0.205417D+01 -0.123150D+01 -0.370911D+01 -0.102814D+01
               106           107           108           109           110 
      1  -0.390740D+01 -0.606787D+01  0.175326D+01 -0.222677D+01 -0.342490D+01
      2  -0.911952D+01  0.101407D+02  0.173790D+02 -0.103290D+02  0.905003D+00
      3   0.120826D+02 -0.836721D+01 -0.895412D+01 -0.257027D+01 -0.470485D+01
               111           112           113           114           115 
      1   0.315541D+01 -0.100713D+01  0.113302D+01 -0.314051D+01  0.458002D+00
      2   0.113120D+02 -0.476037D+00 -0.791166D+01 -0.106705D+02  0.744202D+01
      3  -0.521035D+00 -0.645196D+01  0.942119D+01  0.887224D+01 -0.129229D+02
               116           117           118           119           120 
      1   0.842400D+01 -0.624586D+01  0.282271D+01 -0.108506D+01  0.774366D+00
      2  -0.491617D+01 -0.367420D+02  0.515975D+01 -0.265087D+00  0.262442D+01
      3   0.149274D+02  0.741971D+01 -0.986224D+01  0.926264D+01 -0.284790D+01
               121           122           123           124           125 
      1  -0.141132D+01  0.259757D+01 -0.193756D+01 -0.325839D+01  0.733436D+01
      2   0.305980D+01  0.614395D+01 -0.281304D+01  0.557221D+00 -0.541190D+01
      3   0.114075D+02 -0.111897D+02 -0.360509D+01  0.401674D+01 -0.799195D+01
               126           127           128           129           130 
      1   0.480340D+01 -0.477999D+00  0.130951D+01 -0.428004D+00 -0.938921D+00
      2   0.181669D+02 -0.409308D+01 -0.632283D+00 -0.542614D+00 -0.191445D+01
      3   0.658924D+01  0.242944D+01 -0.182798D+00  0.657938D+00  0.303073D+01
               131           132           133           134           135 
      1   0.344138D+00 -0.314064D+01 -0.949658D+00  0.221018D+01 -0.251406D+01
      2   0.184437D+00  0.425859D+00 -0.309083D+01  0.476591D+00  0.212217D+01
      3  -0.100061D+01  0.210543D+00  0.194169D+01 -0.163023D+01 -0.384486D+00
               136           137           138           139           140 
      1  -0.125933D+01 -0.183488D+01  0.182599D+01 -0.224651D+00  0.137604D+00
      2   0.638002D+01 -0.298404D+00 -0.998741D+00  0.812489D+00  0.142892D+00
      3  -0.284337D+01 -0.883824D+00  0.133945D+01  0.408774D+00  0.690358D+00
               141           142           143           144           145 
      1  -0.163015D+01  0.699284D+00  0.292905D+01 -0.110506D+01  0.143511D+01
      2  -0.853762D+00 -0.473333D+01  0.224812D+00 -0.127037D+01 -0.455998D+01
      3  -0.241921D+00  0.172031D+01  0.157105D+01 -0.999253D+00  0.759789D+00
               146           147           148           149           150 
      1   0.242537D+01  0.577390D+00  0.183175D+00  0.132463D+01 -0.140071D+01
      2  -0.156850D+01 -0.110304D+01 -0.281318D+01 -0.593925D+00 -0.452090D+00
      3  -0.660477D+00  0.843425D-01  0.175340D+01 -0.654542D+00 -0.168216D+00
               151           152           153           154           155 
      1   0.674589D+00  0.430926D+01  0.335281D+00  0.148370D+00 -0.204977D+01
      2  -0.381059D+01 -0.537309D+00  0.605965D+00  0.613112D+01 -0.498083D+00
      3   0.693687D+00 -0.213727D+01 -0.916144D+00 -0.109560D+01 -0.120613D+01
               156           157           158           159           160 
      1   0.619183D+00  0.294293D+00  0.623588D+00 -0.966999D+00 -0.135635D+01
      2  -0.969058D+00  0.326581D+00 -0.123043D-01 -0.104267D+01 -0.510489D+01
      3   0.564052D+00  0.143858D+01  0.400962D+00  0.124003D+00 -0.183626D-01
               161           162           163           164           165 
      1   0.380815D+01  0.126866D+01  0.175260D+01 -0.310524D+00 -0.192208D+01
      2   0.419402D+00 -0.990559D+00 -0.452977D+01 -0.200096D+01  0.653984D+01
      3   0.186186D+01 -0.486097D+00  0.276221D+01 -0.311571D+01  0.268492D-01
               166           167           168           169           170 
      1   0.812373D+00  0.251235D+00 -0.979266D+00 -0.202385D+01  0.151251D+01
      2  -0.221039D+01 -0.152524D+01  0.155055D+00  0.147988D+01  0.409549D+01
      3  -0.137192D+01 -0.210145D+01  0.162712D+01 -0.153105D+01  0.365633D+01
               171           172           173           174           175 
      1   0.705920D+01 -0.118890D+01 -0.302908D+00 -0.921299D+00 -0.140702D+01
      2  -0.181248D+02  0.423628D+01  0.756356D+00  0.243378D+01  0.293061D+01
      3  -0.118203D+01 -0.162066D+01 -0.266737D+01  0.409961D+00 -0.248949D+01
               176           177           178           179           180 
      1  -0.474378D+01 -0.401751D+01 -0.199360D+01 -0.187031D+01 -0.133427D+01
      2   0.642134D+01  0.344355D+01  0.455155D+01  0.478514D+01  0.107143D+01
      3  -0.238710D+02 -0.218833D+01  0.168215D+01 -0.698724D+01 -0.239455D+01
               181           182           183           184           185 
      1   0.188473D+01 -0.123481D+01  0.111285D+00 -0.408968D+00 -0.646810D+00
      2   0.105202D+02  0.357165D+00 -0.707705D+01 -0.536772D+00  0.326831D+01
      3  -0.339587D+01  0.133758D+01 -0.724200D+00  0.339022D+01  0.232692D+01
               186           187           188           189           190 
      1  -0.605929D+00 -0.330224D+00  0.307088D+01  0.369828D+00 -0.282089D+01
      2  -0.303019D+00 -0.107938D+02 -0.833773D-01  0.295162D+02 -0.514205D+01
      3  -0.265489D+01 -0.784876D+00 -0.348909D+01  0.188779D+00  0.252616D+01
               191           192           193           194           195 
      1  -0.248079D+00  0.378884D+01  0.118854D+00 -0.110514D+01 -0.169711D+01
      2   0.124543D+01  0.801942D+01 -0.664667D-02 -0.218295D+01 -0.812492D+00
      3  -0.341655D+01  0.584434D+00 -0.943391D-01  0.551227D+00  0.212725D+01
               196           197           198           199           200 
      1   0.417614D+01  0.458109D+00 -0.120094D+02  0.279740D+01 -0.152569D+01
      2   0.509914D+01 -0.578938D+01 -0.244878D+02  0.613599D+01 -0.457687D+01
      3   0.160442D+01  0.705538D+01  0.321432D+01  0.641479D+01 -0.931472D+01
               201           202           203           204           205 
      1   0.416667D+01 -0.317155D+01  0.296246D+01 -0.421395D+01  0.405919D+01
      2   0.743797D+01 -0.486077D+01  0.789055D+01 -0.656770D+01  0.727670D+01
      3   0.184705D+01 -0.464641D+01  0.138662D+02 -0.514678D+01  0.281390D+01
               206           207           208           209           210 
      1  -0.170136D+01  0.384747D+01 -0.194296D+01 -0.226179D+00 -0.209494D+01
      2  -0.772967D+01  0.735228D+01 -0.266907D+01 -0.933347D+00 -0.770899D+00
      3  -0.105352D+02  0.455841D+01  0.266439D+02  0.123898D+02  0.147682D+01
               211           212           213           214           215 
      1  -0.848840D+00  0.508531D+00 -0.179973D+01 -0.186026D+01  0.230343D+00
      2  -0.107183D+01  0.442056D+00 -0.934424D+00 -0.367389D+01 -0.211210D+01
      3   0.123596D+02  0.969729D+01 -0.269315D+00  0.174110D+01 -0.127749D+01
               216           217           218           219           220 
      1  -0.109138D+01  0.140403D+01 -0.782856D-01 -0.183172D+01  0.653601D+00
      2  -0.154122D+01 -0.115531D+02 -0.224110D+01  0.130792D+02 -0.176630D+01
      3   0.308935D+01  0.141776D+01 -0.412216D+01  0.735521D+00 -0.408184D+01
               221           222           223           224           225 
      1   0.509811D+00 -0.116292D+01 -0.228606D+01  0.160674D+01  0.406257D+01
      2  -0.272667D+01  0.139731D+01  0.170995D+02  0.376144D+01 -0.318539D+02
      3  -0.352445D+01  0.191910D+01  0.179805D+01  0.645160D+01 -0.898983D+00
               226           227           228           229           230 
      1   0.454333D+00  0.275181D+00 -0.325509D+00  0.761552D+00  0.354836D+01
      2   0.249142D+01 -0.212469D+00  0.241261D+01  0.187604D+01  0.128955D+02
      3  -0.481015D+01 -0.262695D+01 -0.141764D+00 -0.865330D+01 -0.409741D+02
               231           232           233           234           235 
      1  -0.240608D+01 -0.551210D+00  0.146220D+01 -0.608173D+00 -0.292179D+01
      2   0.100573D+02  0.493162D+01  0.909711D+01  0.651018D+01  0.100764D+02
      3  -0.130721D+02 -0.194533D+01 -0.141660D+02 -0.812253D+01  0.143710D+02
               236           237           238           239           240 
      1   0.216012D+01 -0.132286D+01  0.224842D+01 -0.273462D+01  0.726471D+00
      2  -0.391135D+01  0.121829D+02 -0.716654D+01  0.715858D+01 -0.862159D+01
      3  -0.105816D+02  0.680297D+01 -0.130166D+02  0.112760D+02 -0.926862D+01
               241           242           243           244           245 
      1  -0.229438D+01  0.324432D+01 -0.148270D+01 -0.185856D+01 -0.918236D-01
      2   0.145249D+02 -0.476941D+01  0.125877D+02  0.602491D+01  0.144496D+01
      3   0.839214D+01 -0.107303D+02  0.734184D+01 -0.121750D+01 -0.276716D+01
               246           247           248           249           250 
      1  -0.119505D+01 -0.624085D+00 -0.158379D+00 -0.246450D+01 -0.121579D+01
      2   0.338443D+01  0.146526D+01  0.314077D+01  0.568044D+01  0.543213D+00
      3   0.171819D+00 -0.205031D+01 -0.409955D+01 -0.303058D+01  0.132627D+00
               251           252           253           254           255 
      1   0.128066D+01 -0.519850D+01  0.324516D+01 -0.347855D+01 -0.428414D+01
      2   0.507693D+01  0.161584D+02 -0.555491D+01 -0.458234D+01  0.709923D+01
      3  -0.440428D+01 -0.408169D+01  0.241016D+01 -0.199118D+02  0.350830D-02
               256           257           258           259           260 
      1  -0.605865D+00  0.718264D+01 -0.678590D+01 -0.433908D+01 -0.116319D+01
      2  -0.710579D+01 -0.577503D+01  0.100730D+02  0.804295D+01  0.105913D+02
      3  -0.168685D+02  0.734861D+01  0.666714D+01  0.171211D+01  0.104796D+02
               261           262           263           264           265 
      1  -0.111543D+02 -0.223857D+01  0.265266D+01  0.117302D+01  0.373788D+01
      2   0.115367D+02  0.943673D+00 -0.421982D+00  0.375867D+01 -0.598427D+00
      3  -0.642910D+01  0.873208D+01 -0.113038D+02  0.302178D+01 -0.140214D+02
               266           267           268           269           270 
      1  -0.519218D+01 -0.157669D+01  0.338775D+00 -0.278280D+00 -0.943267D+00
      2   0.136188D+01 -0.571218D+01  0.132769D+01 -0.193157D+01  0.995318D+00
      3   0.244666D+02 -0.457420D+01 -0.320258D+01  0.427608D+01  0.163255D+01
               271           272           273           274           275 
      1  -0.257934D+01  0.261024D+01  0.319422D+01  0.190831D+01 -0.604077D+01
      2  -0.161422D+01  0.254338D+01 -0.138310D+01  0.186231D+01 -0.217296D+01
      3  -0.119456D+02  0.138982D+02  0.889072D-02  0.111818D+02 -0.231540D+02
               276           277           278           279           280 
      1  -0.330197D+01  0.210134D+01 -0.102861D+01 -0.947864D+00  0.254073D+01
      2   0.951072D+00 -0.220913D+01  0.948130D+00 -0.465398D+00 -0.408578D+01
      3  -0.398180D+00  0.228223D+01 -0.461015D+01 -0.269862D+01 -0.483676D+00
               281           282           283           284           285 
      1   0.130202D+01  0.195394D+01  0.125179D+01  0.353821D+01  0.267616D+01
      2  -0.398595D+00 -0.310618D+01 -0.231447D+01 -0.180075D+01 -0.454516D+01
      3   0.140920D+01 -0.134948D+01  0.178444D+01  0.158731D+01  0.824004D+00
               286           287           288           289           290 
      1   0.112519D+01  0.467290D+01  0.141813D+02 -0.105052D+01 -0.122838D+01
      2  -0.413416D+01 -0.669577D+00 -0.200109D+02  0.434077D+01  0.315856D+00
      3  -0.163372D+01  0.342616D+01 -0.480141D+00  0.635118D+01 -0.475453D+01
               291           292           293           294           295 
      1  -0.330409D+01 -0.148347D+01 -0.179396D+01 -0.114056D+01 -0.214016D+01
      2   0.591113D+01  0.186357D+01  0.981336D+00  0.129956D+01  0.231200D+01
      3   0.907516D+00 -0.673905D+00 -0.431559D+01 -0.189271D-01 -0.780315D-02
               296           297 
      1   0.127877D+00  0.130329D+01
      2   0.604019D+00 -0.152891D+01
      3  -0.115139D+01  0.840064D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.578263D+01 -0.378668D+01 -0.180748D+02  0.114127D+02 -0.119573D+02
      2   0.634228D+00 -0.528287D+00  0.297788D+01 -0.946512D+00  0.188531D+02
      3   0.514841D+01  0.431497D+01  0.150970D+02 -0.104662D+02 -0.689581D+01
      4  -0.681257D+01 -0.280138D+01 -0.791494D+01  0.175162D+01 -0.703922D+00
      5  -0.174132D+02 -0.694128D+01  0.822295D-01 -0.775946D+01 -0.187137D+01
      6  -0.968526D+01 -0.958364D+00 -0.457297D+00 -0.306451D+01  0.737258D+00
                 6             7             8             9            10 
      1  -0.406185D+01  0.294784D+02  0.120800D+02  0.147851D+02  0.589643D+02
      2   0.831408D+01 -0.775140D+01 -0.240620D+01 -0.613529D+01 -0.224176D+02
      3  -0.425222D+01 -0.217270D+02 -0.967384D+01 -0.864983D+01 -0.365467D+02
      4  -0.109743D+01  0.574350D+01  0.140705D+01 -0.423588D+01  0.721655D+01
      5  -0.705234D+01  0.133544D+02 -0.382480D+01 -0.486198D+01  0.862824D+01
      6   0.128930D+01 -0.588596D+01 -0.460387D+01 -0.114699D+02  0.118778D+01
                11            12            13            14            15 
      1   0.558969D+01  0.427341D+01  0.216060D+01 -0.218709D+01 -0.679149D+01
      2  -0.101099D+01  0.300810D+01  0.386932D+01  0.806349D+01  0.255450D+01
      3  -0.457869D+01 -0.728151D+01 -0.602992D+01 -0.587640D+01  0.423699D+01
      4   0.136966D+01  0.386914D+01  0.156719D+02  0.435465D+01  0.118077D+00
      5   0.500893D+01  0.721126D+01 -0.831379D+01  0.658480D+00  0.200618D+01
      6   0.112472D+01  0.214915D+01 -0.769371D+01 -0.518761D+01  0.873282D+01
                16            17            18            19            20 
      1   0.941047D+01 -0.714455D+01 -0.166106D+02  0.438997D+01  0.109148D+02
      2  -0.488126D+01 -0.373130D+01  0.119301D+01  0.420475D+01 -0.828100D+01
      3  -0.452921D+01  0.108759D+02  0.154176D+02 -0.859472D+01 -0.263383D+01
      4  -0.115924D+02  0.104148D+00 -0.100837D+01  0.216581D+01  0.513986D+01
      5  -0.121451D+02 -0.208343D+00 -0.223625D+01  0.178979D+02  0.288559D+01
      6  -0.282322D+01  0.221406D+01  0.536820D+01  0.696775D+01 -0.156358D+01
                21            22            23            24            25 
      1   0.192720D+02 -0.101833D+02 -0.267631D+01  0.157971D+02 -0.226489D+02
      2  -0.886756D+01 -0.216406D+01  0.509608D+01 -0.262648D+00  0.402021D+01
      3  -0.104045D+02  0.123473D+02 -0.241977D+01 -0.155345D+02  0.186287D+02
      4   0.400931D+01  0.696154D+01 -0.701040D+01 -0.761407D+00 -0.238000D+01
      5  -0.529900D+01  0.990285D+01  0.126405D+01  0.382403D+00  0.992142D+01
      6  -0.513629D+01  0.403410D+01 -0.349022D+00  0.387760D+01  0.133443D+02
                26            27            28            29            30 
      1   0.345234D+01  0.611287D+01  0.174467D+02  0.239522D+01 -0.420281D+01
      2  -0.622712D+00  0.138442D+01 -0.255828D+01  0.658889D+00 -0.937540D+00
      3  -0.282963D+01 -0.749729D+01 -0.148884D+02 -0.305411D+01  0.514035D+01
      4  -0.440691D+00  0.752866D+01  0.644680D+01  0.415335D+01  0.839356D+00
      5   0.670738D+01  0.631177D+01 -0.353975D+01  0.706720D+00  0.825082D+01
      6   0.584850D+01 -0.745507D+01 -0.840474D+01  0.124311D+01  0.337179D+01
                31            32            33            34            35 
      1  -0.689694D+01 -0.977987D+00 -0.810057D+01  0.335741D+01 -0.547089D+01
      2   0.690861D+01  0.553566D+01  0.346445D+00 -0.647075D+01 -0.637483D+01
      3  -0.116691D-01 -0.455767D+01  0.775412D+01  0.311333D+01  0.118457D+02
      4   0.190363D+02  0.800289D+00 -0.313836D+01 -0.115671D+02 -0.763197D+01
      5  -0.143640D+02 -0.278261D+01  0.290347D+01 -0.129978D+02  0.780853D-01
      6  -0.254117D+01 -0.374729D+01  0.789300D+01 -0.650951D+01  0.161678D+01
                36            37            38            39            40 
      1  -0.203085D+02  0.808034D+01 -0.152046D+01 -0.223591D+02  0.393782D+01
      2   0.447187D+01 -0.810082D+01 -0.174039D+01  0.223230D+01  0.511265D+01
      3   0.158367D+02  0.204809D-01  0.326085D+01  0.201268D+02 -0.905047D+01
      4   0.706459D+00 -0.818191D+01 -0.519412D+01 -0.861705D+01  0.103929D+02
      5   0.155854D+01 -0.579287D+01 -0.597849D+01 -0.520212D+01 -0.478996D+01
      6   0.634433D+01 -0.513878D+01  0.371297D+00 -0.526050D+01 -0.291870D+01
                41            42            43            44            45 
      1  -0.102414D+02  0.587319D+00  0.241554D+02  0.900323D+01  0.887647D+01
      2   0.140415D+02  0.761734D+01 -0.184860D+01  0.246787D+01 -0.547659D+01
      3  -0.380012D+01 -0.820466D+01 -0.223068D+02 -0.114711D+02 -0.339989D+01
      4   0.678026D+00 -0.153701D+01 -0.111050D+01  0.523573D+01 -0.491159D+01
      5  -0.100002D+01 -0.114211D+02  0.598604D+01 -0.578361D+01 -0.398987D+01
      6   0.372009D+01  0.512213D+01 -0.897177D+01 -0.413836D+01 -0.130693D+02
                46            47            48            49            50 
      1  -0.392696D+01  0.709639D+01  0.185900D+02 -0.250537D+02 -0.495463D+01
      2   0.821861D+01 -0.329421D+01 -0.763603D+01  0.805089D+01  0.356108D+01
      3  -0.429166D+01 -0.380218D+01 -0.109540D+02  0.170028D+02  0.139355D+01
      4  -0.201001D+01  0.749043D+01  0.318219D+01  0.979894D+01 -0.383184D+01
      5   0.934246D+01  0.179120D+00 -0.101791D+02  0.297419D+01 -0.282596D+01
      6   0.292350D+01 -0.411126D+01 -0.672876D+01  0.573435D+00 -0.156540D+01
                51            52            53            54            55 
      1   0.197286D+02 -0.317149D+02  0.284462D+01 -0.125406D+01 -0.584917D+02
      2   0.120830D+01  0.437667D+01  0.722845D+00  0.424530D+01  0.243380D+02
      3  -0.209369D+02  0.273382D+02 -0.356747D+01 -0.299125D+01  0.341537D+02
      4  -0.762066D+00 -0.587286D+01 -0.165338D+01  0.554512D+01  0.653182D+01
      5   0.231849D+01 -0.845395D+00  0.529152D+01  0.864901D+01 -0.892076D+01
      6   0.991175D+01  0.993502D+01  0.661942D+01 -0.101855D+02 -0.181499D+01
                56            57            58            59            60 
      1   0.861810D+01 -0.639340D+01  0.471431D+02 -0.173520D+01  0.129649D+02
      2  -0.548515D+01  0.191969D+00 -0.341910D+02 -0.170304D+02 -0.110694D+02
      3  -0.313295D+01  0.620143D+01 -0.129520D+02  0.187656D+02 -0.189549D+01
      4  -0.101384D+02  0.465801D+01 -0.284270D+02 -0.396678D+02 -0.111700D+02
      5   0.417411D+01 -0.151130D+02  0.124298D+02 -0.113788D+02 -0.923480D+00
      6   0.107873D+01 -0.360368D+01 -0.129698D+00 -0.628124D+01 -0.112214D+01
                61            62            63            64            65 
      1  -0.386738D+02  0.989438D+01 -0.148809D+02 -0.802182D+01 -0.374224D+02
      2   0.993008D+01 -0.116481D+02  0.127036D+02  0.972825D+01  0.186401D+02
      3   0.287437D+02  0.175371D+01  0.217728D+01 -0.170643D+01  0.187823D+02
      4   0.727060D+01 -0.176248D+02 -0.787568D+01 -0.414584D+02  0.666737D+01
      5  -0.335286D+02 -0.744639D+01  0.344917D+02 -0.443533D+01 -0.116126D+02
      6  -0.660444D+01 -0.367655D+01  0.880540D+01 -0.324672D+01 -0.243830D+01
                66            67            68            69            70 
      1  -0.943936D+01 -0.852169D+02  0.121298D+02 -0.147170D+02  0.152883D+02
      2   0.422679D+00  0.449889D+02 -0.664668D+01  0.651402D+01 -0.732352D+01
      3   0.901668D+01  0.402280D+02 -0.548308D+01  0.820301D+01 -0.796480D+01
      4  -0.104410D+02  0.149707D+02  0.367443D+02  0.160145D+02 -0.131026D+02
      5   0.238568D+02 -0.233307D+02  0.170789D+02 -0.193180D+01  0.449599D+02
      6  -0.158544D+01  0.274315D+01 -0.513934D+00  0.283837D+00 -0.129260D+00
                71            72            73            74            75 
      1  -0.925496D+01  0.456377D+02  0.366387D+02  0.361204D+02 -0.255059D+01
      2   0.280839D+01 -0.127633D+02 -0.301505D+02 -0.158382D+02 -0.394445D+01
      3   0.644657D+01 -0.328744D+02 -0.648817D+01 -0.202822D+02  0.649505D+01
      4   0.190096D+02 -0.104657D+01  0.318616D+02 -0.196484D+02  0.125820D+02
      5  -0.230992D+00 -0.458623D+02 -0.470439D+01  0.127730D+02 -0.239024D+02
      6   0.484347D+01  0.415981D+00  0.733853D+01 -0.428020D+01  0.115076D+02
                76            77            78            79            80 
      1   0.431664D+02 -0.169246D+02  0.655275D+01 -0.717067D+01  0.877714D+01
      2  -0.189759D+02  0.115378D+02  0.343567D+01 -0.545553D+01  0.360667D+01
      3  -0.241904D+02  0.538676D+01 -0.998842D+01  0.126262D+02 -0.123838D+02
      4  -0.244091D+02 -0.111812D+02 -0.237741D+02  0.160209D+02 -0.322129D+02
      5   0.156169D+02 -0.224873D+02  0.885695D+01 -0.356121D+02  0.154413D+02
      6  -0.820941D+01  0.121139D+02 -0.352163D+01  0.135592D+02 -0.766822D+01
                81            82            83            84            85 
      1  -0.267056D+02  0.226259D+02  0.433170D+02  0.939852D+00  0.655322D+02
      2   0.158751D+02 -0.592581D+01 -0.246559D+02  0.284456D+01 -0.387236D+02
      3   0.108305D+02 -0.167001D+02 -0.186610D+02 -0.378442D+01 -0.268086D+02
      4   0.222579D+02  0.469678D+02 -0.608246D+01  0.191221D+02 -0.227834D+02
      5   0.371860D+02 -0.311876D+01  0.210783D+02 -0.397422D+02  0.287542D+02
      6  -0.115770D+02  0.606383D+01 -0.991864D+00 -0.631437D+00 -0.563762D+01
                86            87            88            89            90 
      1  -0.924291D+01  0.279506D+02 -0.717236D+01  0.237842D+02 -0.553275D+02
      2  -0.284287D+00 -0.195462D+02  0.671212D+01 -0.169309D+02  0.278247D+02
      3   0.952720D+01 -0.840448D+01  0.460239D+00 -0.685333D+01  0.275028D+02
      4  -0.501885D+02 -0.360819D+02  0.216302D+02 -0.337672D+02 -0.365799D+01
      5  -0.389216D+02  0.353960D+01 -0.618478D+02 -0.204309D+01  0.327122D+02
      6  -0.124555D+02 -0.746625D+01 -0.224013D+01 -0.752709D+01  0.513917D+01
                91            92            93            94            95 
      1   0.211333D+01  0.169137D+02 -0.754261D+01  0.341348D+02 -0.157137D+02
      2  -0.121075D+01 -0.121209D+02  0.494563D+01 -0.205007D+02  0.498524D+01
      3  -0.902587D+00 -0.479274D+01  0.259699D+01 -0.136342D+02  0.107284D+02
      4   0.134850D+02 -0.111229D+02  0.128171D+01 -0.446896D+02 -0.168613D+01
      5  -0.613048D+01  0.131205D+01 -0.623833D+01  0.869493D+01  0.569591D+01
      6   0.987894D+00  0.115029D+01 -0.565703D+01  0.579295D+01  0.740248D+01
                96            97            98            99           100 
      1  -0.157414D+01 -0.134452D+01 -0.358017D+01  0.229118D+01 -0.877080D+01
      2   0.350667D+01  0.804874D+01  0.107056D+02 -0.285836D+01  0.722718D+01
      3  -0.193252D+01 -0.670422D+01 -0.712539D+01  0.567180D+00  0.154362D+01
      4   0.593000D+01  0.103370D+02  0.162761D+02 -0.242795D+02  0.417940D+01
      5  -0.187371D+02 -0.128655D+02 -0.232053D+02 -0.235040D+02  0.163307D+02
      6  -0.100082D+02 -0.130182D+02 -0.122936D+02 -0.852269D+01 -0.103516D+01
               101           102           103           104           105 
      1  -0.503961D+01  0.103967D+02  0.810966D+01  0.189580D+02 -0.323055D+01
      2   0.346626D+01 -0.713650D+01 -0.101499D+02 -0.644533D+01  0.240862D+01
      3   0.157334D+01 -0.326022D+01  0.204027D+01 -0.125127D+02  0.821927D+00
      4   0.915091D+01 -0.185124D+01  0.198115D+02 -0.112849D+02 -0.341624D-02
      5  -0.118915D+01 -0.164117D+02 -0.261520D+01  0.307677D+00  0.313114D+02
      6   0.433226D+00  0.829608D+01 -0.245739D+01  0.224133D+01 -0.709907D+01
               106           107           108           109           110 
      1   0.350100D+02 -0.101188D+02 -0.167435D+02  0.473162D+02 -0.908095D+01
      2  -0.153592D+02  0.867123D-01  0.152829D+02 -0.270662D+02  0.411771D+01
      3  -0.196509D+02  0.100321D+02  0.146065D+01 -0.202500D+02  0.496324D+01
      4  -0.201039D+02  0.160999D+02  0.212064D+02 -0.157987D+02  0.119220D+02
      5  -0.367844D+02  0.214011D+02  0.285933D+02 -0.378752D+02  0.320616D+01
      6   0.116561D+02 -0.135966D+02 -0.483198D+01  0.722481D+01 -0.327856D+01
               111           112           113           114           115 
      1  -0.274375D+02 -0.162833D+02  0.963311D+00  0.121209D+00 -0.571106D+02
      2   0.182250D+02  0.542424D+01  0.391888D+01 -0.539630D+00  0.317338D+02
      3   0.921242D+01  0.108591D+02 -0.488219D+01  0.418421D+00  0.253769D+02
      4   0.578327D+01  0.194755D+02 -0.157585D+02 -0.178914D+02  0.238795D+02
      5   0.306286D+02  0.990675D+01 -0.184795D+02 -0.206904D+02  0.481187D+02
      6  -0.588347D+01 -0.382678D+01  0.874448D+01  0.144614D+02 -0.744704D+01
               116           117           118           119           120 
      1   0.699942D+01  0.139720D+02  0.411208D+01  0.971406D+01  0.138968D+02
      2  -0.220053D+01 -0.242624D+02 -0.112792D+02  0.329194D+01 -0.101862D+02
      3  -0.479889D+01  0.102903D+02  0.716712D+01 -0.130060D+02 -0.371059D+01
      4  -0.298498D+02 -0.141676D+02  0.183079D+02 -0.244336D+02  0.338379D+00
      5  -0.138650D+02 -0.764556D+02  0.121627D+02  0.375460D+01  0.103371D+02
      6   0.149345D+02  0.196496D+02 -0.418706D+00 -0.213753D+01 -0.104288D+01
               121           122           123           124           125 
      1   0.173666D+02 -0.308882D+02  0.857236D+01  0.289436D+02  0.149272D+01
      2   0.190389D+01  0.843936D+01 -0.503565D+01 -0.165648D+02 -0.289737D+01
      3  -0.192704D+02  0.224488D+02 -0.353671D+01 -0.123788D+02  0.140465D+01
      4  -0.303422D+02  0.358038D+02  0.532951D+01 -0.151156D+02  0.176753D+02
      5   0.243045D+01  0.490336D+01 -0.597872D+01  0.299376D+02 -0.177526D+02
      6  -0.146605D+01 -0.452779D+01  0.886860D+01 -0.861138D+01  0.147172D+02
               126           127           128           129           130 
      1   0.399868D+01  0.360183D+00 -0.283359D+01 -0.205086D+01 -0.706297D+00
      2  -0.133163D+02 -0.100403D+01  0.243737D+01 -0.570968D-01 -0.584183D-01
      3   0.931759D+01  0.643846D+00  0.396217D+00  0.210795D+01  0.764716D+00
      4  -0.148717D+02  0.423473D+01  0.448776D+01  0.449754D+01  0.414556D+01
      5   0.422600D+02  0.770094D+01  0.481299D+01  0.857784D+01  0.616794D+01
      6  -0.147657D+02  0.539170D+01  0.446241D+01  0.595791D+01  0.489804D+01
               131           132           133           134           135 
      1  -0.764380D+01 -0.847013D+01 -0.367584D+01 -0.115634D+02 -0.196257D+02
      2   0.449202D+01  0.148901D+01 -0.124612D+01  0.470474D+01 -0.273796D+00
      3   0.315178D+01  0.698112D+01  0.492196D+01  0.685870D+01  0.198995D+02
      4   0.514362D+01  0.402949D+01  0.421319D+01  0.417892D+01  0.498830D+01
      5   0.567880D+01  0.810066D+01  0.967830D+01  0.664607D+01  0.144803D+02
      6   0.907489D+01  0.104066D+02  0.674095D+01  0.126789D+02  0.178303D+02
               136           137           138           139           140 
      1   0.359205D+01 -0.280913D-01  0.199706D+01  0.104848D+01 -0.234726D+01
      2  -0.525628D+01  0.515530D+00  0.358507D+01  0.876615D+00  0.533491D+00
      3   0.166423D+01 -0.487438D+00 -0.558212D+01 -0.192510D+01  0.181376D+01
      4  -0.430518D+01  0.297812D+01  0.254145D+01  0.266797D+01 -0.168912D+01
      5  -0.945856D+01  0.144844D+01  0.907666D+01  0.233578D+01 -0.239338D+01
      6   0.101776D+01 -0.194231D+01 -0.124878D+01 -0.188644D+01  0.255385D+01
               141           142           143           144           145 
      1  -0.486638D+01  0.396866D+01 -0.366245D+01 -0.144458D+02 -0.304845D+01
      2  -0.648193D+00  0.392398D+01  0.421139D+00 -0.694654D+01 -0.227905D+01
      3   0.551457D+01 -0.789264D+01  0.324131D+01  0.213924D+02  0.532750D+01
      4  -0.228679D+01  0.463376D+01 -0.441053D+01 -0.621739D+01  0.452436D+01
      5  -0.245035D+01  0.112332D+02 -0.306800D+01 -0.154146D+02  0.100994D+02
      6   0.383782D+01 -0.357061D+01  0.543301D+01  0.699951D+01  0.603153D+01
               146           147           148           149           150 
      1  -0.345529D+01 -0.514292D+01 -0.407011D+01 -0.805748D+01 -0.124493D+02
      2   0.747343D+00 -0.214638D+01 -0.103637D+01  0.169176D+01 -0.123056D+01
      3   0.270794D+01  0.728930D+01  0.510649D+01  0.636573D+01  0.136799D+02
      4   0.421183D+01  0.411402D+01  0.311656D+01  0.362808D+01  0.337428D+01
      5   0.580491D+01  0.118128D+02  0.654871D+01  0.559304D+01  0.949350D+01
      6   0.512442D+01  0.680193D+01  0.474402D+01  0.864383D+01  0.110141D+02
               151           152           153           154           155 
      1  -0.765821D+01 -0.126679D+02 -0.268133D+02 -0.646338D-01 -0.503248D+00
      2  -0.266418D+01  0.108024D+01 -0.714680D+01 -0.846968D+01  0.111156D+01
      3   0.103224D+02  0.115877D+02  0.339601D+02  0.853431D+01 -0.608310D+00
      4   0.385866D+01  0.377289D+01  0.409920D+01 -0.372034D+01  0.298993D+01
      5   0.111084D+02  0.721839D+01  0.178875D+02 -0.158852D+02  0.205989D+01
      6   0.713732D+01  0.132472D+02  0.195748D+02  0.721608D+00 -0.253364D+01
               156           157           158           159           160 
      1   0.451786D+01  0.456071D+01 -0.241363D+01 -0.640167D+01  0.391692D+01
      2   0.877026D+01 -0.352138D+00 -0.446998D+00 -0.247577D+01  0.965899D+01
      3  -0.132881D+02 -0.420857D+01  0.286063D+01  0.887744D+01 -0.135759D+02
      4   0.306694D+01  0.109446D+01 -0.134736D+01 -0.304433D+01  0.486619D+01
      5   0.169947D+02  0.219129D+01 -0.308803D+01 -0.393695D+01  0.172016D+02
      6  -0.393924D+00 -0.206113D+01  0.246705D+01  0.410492D+01 -0.315637D+01
               161           162           163           164           165 
      1  -0.342918D+01 -0.212221D+02  0.148773D+02 -0.594358D+00 -0.734284D+01
      2  -0.118790D+01 -0.156901D+02 -0.112234D+02  0.542427D+00  0.606187D+01
      3   0.461708D+01  0.369123D+02 -0.365394D+01  0.519311D-01  0.128097D+01
      4  -0.413900D+01 -0.621947D+01  0.330307D+01  0.690642D+01 -0.595671D+01
      5  -0.412135D+01 -0.254991D+02 -0.155141D+02 -0.527909D+01  0.176189D+02
      6   0.587956D+01  0.608210D+01 -0.370215D+01 -0.238454D+01  0.400886D+01
               166           167           168           169           170 
      1  -0.920924D+01 -0.117669D+01  0.889986D+00 -0.145983D+02  0.117157D+01
      2   0.508469D+01  0.170537D+01 -0.768823D+00  0.121876D+02  0.522748D+00
      3   0.412455D+01 -0.528682D+00 -0.121163D+00  0.241072D+01 -0.169432D+01
      4   0.561538D+01  0.606436D+01 -0.526747D+01 -0.827679D+01 -0.884150D+01
      5  -0.205648D+01 -0.571122D+01  0.108428D+01  0.216734D+02  0.109066D+02
      6  -0.228073D+01 -0.231994D+01  0.539161D+01  0.664322D+01  0.752607D+01
               171           172           173           174           175 
      1  -0.416890D+01  0.871473D+01  0.667674D+01  0.363332D+01  0.888015D+01
      2  -0.112313D+02  0.421562D+00 -0.129714D+01 -0.119325D+01  0.542662D+01
      3   0.154002D+02 -0.913630D+01 -0.537959D+01 -0.244007D+01 -0.143068D+02
      4   0.108177D+02  0.101964D+02  0.130816D+02  0.645045D+00  0.253974D+02
      5  -0.423674D+02  0.467234D+01  0.320841D-01  0.386610D+01  0.166744D+01
      6  -0.142841D+02  0.158182D+01  0.508989D-03  0.642928D+00  0.134094D+01
               176           177           178           179           180 
      1  -0.167631D+02 -0.154986D+01  0.181612D+02 -0.337105D+01  0.592334D-01
      2   0.381541D+02  0.425777D+01 -0.472900D+01  0.803274D+01  0.189816D+01
      3  -0.213910D+02 -0.270791D+01 -0.134322D+02 -0.466169D+01 -0.195739D+01
      4   0.537659D+02  0.621038D+01  0.754415D+01  0.155438D+02  0.828498D+01
      5   0.567182D+01  0.564123D+01  0.922382D+01  0.810825D+01  0.234401D+01
      6   0.304732D+01  0.538706D+01  0.334408D+01  0.742804D+01  0.270407D+01
               181           182           183           184           185 
      1  -0.138647D+02  0.488738D+01  0.137067D+02  0.109782D+02 -0.754386D+01
      2   0.260307D+01 -0.235552D+01 -0.261776D+01 -0.540364D+01  0.295796D+01
      3   0.112616D+02 -0.253186D+01 -0.110890D+02 -0.557452D+01  0.458590D+01
      4   0.579562D+01 -0.229576D+01  0.179436D+01  0.536796D+00 -0.489851D+01
      5   0.704742D+01  0.167852D+01 -0.595963D+01  0.137718D+01  0.368076D+01
      6  -0.346738D+00 -0.508121D+00  0.448864D+00 -0.125975D+01 -0.136787D+00
               186           187           188           189           190 
      1   0.245683D+01  0.224932D+02  0.341978D+01 -0.290450D+02  0.122530D+02
      2  -0.113111D+01 -0.830527D+01 -0.191116D+01 -0.700103D+01 -0.646269D+01
      3  -0.132572D+01 -0.141880D+02 -0.150862D+01  0.360460D+02 -0.579035D+01
      4   0.407789D+01  0.262345D+01  0.714855D+01  0.260229D-01 -0.112946D+02
      5  -0.644423D+00 -0.259055D+01  0.306698D+00  0.474338D+02 -0.155693D+02
      6   0.674549D+01  0.255993D+00  0.364548D+01 -0.137858D+01  0.407315D+01
               191           192           193           194           195 
      1  -0.590517D+01 -0.118245D+02 -0.107995D+01  0.186633D+01 -0.219052D+01
      2   0.114460D+01  0.836472D+01 -0.945286D+00 -0.426511D+00  0.245831D+01
      3   0.476057D+01  0.345974D+01  0.202523D+01 -0.143982D+01 -0.267796D+00
      4   0.111248D+02  0.628851D+01  0.738800D+01 -0.409150D+01 -0.578519D+01
      5   0.370141D+01  0.198206D+02  0.221094D-01 -0.573973D+01 -0.255978D+01
      6  -0.161274D+01 -0.647119D+01 -0.167758D+01  0.205860D+01  0.602781D+01
               196           197           198           199           200 
      1  -0.179151D+02 -0.106973D+01  0.788210D+01  0.315677D+02 -0.200316D+02
      2   0.120270D+02  0.289620D+01 -0.140175D+02 -0.744006D+01  0.682530D+00
      3   0.588805D+01 -0.182648D+01  0.613541D+01 -0.241277D+02  0.193490D+02
      4   0.110297D+02 -0.149797D+02 -0.179471D+02 -0.388330D+02  0.357899D+02
      5   0.246528D+02 -0.138207D+02 -0.538023D+02  0.156540D+02 -0.103373D+02
      6  -0.872707D+01  0.874987D+01  0.203875D+02 -0.774031D+01  0.643197D+01
               201           202           203           204           205 
      1   0.108192D+02 -0.181655D+02  0.101375D+02 -0.371027D+01  0.186562D+02
      2  -0.286203D+01 -0.679028D+00  0.113434D+02 -0.343592D+01 -0.564017D+01
      3  -0.795716D+01  0.188445D+02 -0.214810D+02  0.714619D+01 -0.130161D+02
      4  -0.131078D+02  0.365007D+02 -0.443713D+02  0.183294D+02 -0.232949D+02
      5   0.149462D+02 -0.114809D+02  0.163280D+02 -0.120838D+02  0.205802D+02
      6  -0.739750D+01  0.779301D+01 -0.113575D+02  0.877521D+01 -0.101438D+02
               206           207           208           209           210 
      1  -0.589594D+01  0.937071D+01 -0.551811D+02 -0.236967D+02 -0.130094D+01
      2  -0.451395D+01 -0.381211D+01  0.322902D+02  0.206089D+02  0.104091D+01
      3   0.104099D+02 -0.555860D+01  0.228909D+02  0.308779D+01  0.260025D+00
      4   0.298548D+02 -0.196879D+02  0.492463D+01 -0.102942D+02 -0.187405D+01
      5  -0.166242D+02  0.162287D+02 -0.174023D+01 -0.264114D+01 -0.157334D+01
      6   0.114896D+02 -0.993102D+01 -0.158029D+01 -0.556296D+00  0.235995D+01
               211           212           213           214           215 
      1  -0.194455D+02 -0.191251D+02 -0.124879D+01 -0.170332D+01 -0.135016D+00
      2   0.156131D+02  0.182463D+02  0.799713D-01  0.166960D+01 -0.272708D+00
      3   0.383231D+01  0.878855D+00  0.116882D+01  0.337195D-01  0.407724D+00
      4  -0.514449D+00 -0.657282D+01  0.176239D+01 -0.737418D+00  0.321346D+01
      5  -0.151069D+01  0.109547D+01 -0.227235D+01  0.231899D+01 -0.407730D+01
      6   0.738598D+00 -0.607834D+00  0.313745D+01  0.139905D+01  0.440960D+01
               216           217           218           219           220 
      1  -0.383985D+01  0.399763D+02  0.145356D+01 -0.232611D+02 -0.487529D+01
      2   0.190049D+01 -0.214620D+02  0.118907D+00  0.113995D+02  0.401604D+01
      3   0.193936D+01 -0.185143D+02 -0.157247D+01  0.118616D+02  0.859251D+00
      4  -0.402962D+01  0.321387D+01  0.779568D+01 -0.559791D+01  0.129039D+02
      5  -0.389524D+01 -0.229852D+02 -0.488970D+01  0.256858D+02 -0.421117D+01
      6   0.931665D+00 -0.309386D+01 -0.404346D+00  0.264137D+01 -0.128871D+01
               221           222           223           224           225 
      1   0.777987D+01 -0.385001D+01 -0.533837D+02 -0.952637D+01  0.335062D+02
      2  -0.254176D+01  0.166800D+01  0.277756D+02  0.411972D+01 -0.209009D+02
      3  -0.523812D+01  0.218201D+01  0.256081D+02  0.540665D+01 -0.126052D+02
      4   0.885600D+01 -0.571786D+01 -0.125805D+02 -0.132947D+02  0.763263D+01
      5  -0.514151D+01  0.223737D+01  0.413326D+02  0.720105D+01 -0.602110D+02
      6   0.124125D+00  0.404707D+01  0.389046D+01  0.398615D+01 -0.733030D+01
               226           227           228           229           230 
      1   0.229773D+01  0.981801D+01  0.514968D+01  0.231409D+02  0.569870D+01
      2   0.468484D+00 -0.395511D+01 -0.245591D+01 -0.775150D+01  0.131201D+02
      3  -0.276622D+01 -0.586290D+01 -0.269377D+01 -0.153894D+02 -0.188188D+02
      4   0.902453D+01  0.982027D+01  0.207535D+01  0.329787D+02  0.810477D+02
      5   0.511010D+01  0.240197D+01  0.633346D+01  0.103161D+02  0.274872D+02
      6   0.250783D+01  0.871020D+00  0.318781D+00  0.588982D+01  0.173945D+02
               231           232           233           234           235 
      1  -0.622657D+00  0.110723D+02 -0.178867D+01  0.649574D+01  0.804856D+02
      2   0.227479D+01 -0.618694D+01  0.251079D+01 -0.436909D+01 -0.460278D+02
      3  -0.165214D+01 -0.488539D+01 -0.722112D+00 -0.212665D+01 -0.344577D+02
      4   0.261664D+02  0.816379D+01  0.268209D+02  0.174198D+02 -0.234319D+02
      5   0.197310D+02  0.169314D+02  0.181803D+02  0.143802D+02  0.381510D+02
      6   0.107479D+02  0.367217D+01  0.110466D+02  0.729537D+01 -0.334485D+01
               236           237           238           239           240 
      1  -0.233701D+02  0.291615D+02 -0.564589D+02  0.189119D+02 -0.182000D+02
      2   0.135890D+02 -0.190157D+02  0.315379D+02 -0.944268D+01  0.129229D+02
      3   0.978109D+01 -0.101458D+02  0.249211D+02 -0.946922D+01  0.527709D+01
      4   0.171404D+02 -0.106279D+02  0.267612D+02 -0.201541D+02  0.170941D+02
      5  -0.125279D+02  0.292971D+02 -0.261892D+02  0.180816D+02 -0.201740D+02
      6   0.225285D+01 -0.670049D+00  0.492327D+01 -0.365621D+01  0.434251D+01
               241           242           243           244           245 
      1   0.467584D+02 -0.111771D+02  0.302121D+02  0.232190D+01  0.708950D+00
      2  -0.304683D+02  0.883576D+01 -0.231925D+02 -0.325954D+01 -0.262250D-01
      3  -0.162902D+02  0.234138D+01 -0.701961D+01  0.937634D+00 -0.682725D+00
      4  -0.130330D+02  0.182631D+02 -0.110117D+02  0.532682D+01  0.735340D+01
      5   0.446403D+02 -0.122296D+02  0.323656D+02  0.132132D+02  0.418506D+01
      6  -0.191415D+01  0.481954D+01 -0.312387D+01  0.594839D+01  0.152324D+01
               246           247           248           249           250 
      1   0.801001D+01 -0.490862D+00 -0.853283D+00 -0.138704D+01  0.102092D+02
      2  -0.482481D+01  0.144126D+01  0.294931D+01  0.154683D+01 -0.750806D+01
      3  -0.318521D+01 -0.950396D+00 -0.209602D+01 -0.159781D+00 -0.270112D+01
      4   0.459463D+01  0.108596D+02  0.113557D+02  0.840074D+01  0.650608D+01
      5   0.112319D+02  0.518567D+01  0.876001D+01  0.119092D+02  0.157910D+02
      6   0.333369D+01  0.314516D+01  0.612641D+01  0.918856D+01  0.525857D+01
               251           252           253           254           255 
      1  -0.343059D+01 -0.384226D+01 -0.439959D+02 -0.479456D+02  0.821644D+01
      2   0.156767D+01 -0.665578D+01  0.292419D+01  0.333274D+02  0.168179D+01
      3   0.186292D+01  0.104980D+02  0.410717D+02  0.146183D+02 -0.989823D+01
      4   0.121168D+02  0.128538D+02 -0.612024D+02 -0.104306D+02  0.640955D+01
      5   0.123869D+02  0.353937D+02  0.138559D+02  0.994044D+01  0.560467D+01
      6   0.849297D+01  0.159473D+02  0.672159D+01  0.853233D+00  0.297490D+01
               256           257           258           259           260 
      1  -0.365608D+02  0.138329D+02  0.122872D+02 -0.211777D+01  0.141762D+02
      2   0.290575D+02 -0.177086D+02 -0.479068D+01  0.187101D+01 -0.126215D+02
      3   0.750337D+01  0.387572D+01 -0.749650D+01  0.246764D+00 -0.155472D+01
      4   0.529417D+01  0.564237D+01 -0.927300D+01 -0.565792D+01 -0.172823D+02
      5   0.152806D+01 -0.143192D+02  0.152766D+02  0.141934D+02  0.152476D+02
      6  -0.646524D+01 -0.934038D+01  0.131998D+02  0.108783D+02  0.154489D+02
               261           262           263           264           265 
      1   0.919793D+01  0.332915D+02 -0.243030D+02  0.614151D+01 -0.273088D+02
      2   0.138489D+02 -0.877691D+01  0.455314D+01 -0.229562D+01  0.153265D+01
      3  -0.230468D+02 -0.245145D+02  0.197498D+02 -0.384589D+01  0.257761D+02
      4   0.205005D+02 -0.366987D+02  0.344558D+02 -0.761398D+01  0.479156D+02
      5   0.143832D+02  0.125586D+02 -0.893765D+01  0.888700D+01 -0.124907D+02
      6   0.421027D+01 -0.468656D+01  0.443643D+01 -0.254035D+01  0.589616D+01
               266           267           268           269           270 
      1   0.218996D+02 -0.471457D+01 -0.713312D+01  0.670152D+01  0.157309D+01
      2   0.785013D+01  0.719647D+00 -0.736479D+00  0.147687D+01 -0.331396D+00
      3  -0.297498D+02  0.399492D+01  0.786960D+01 -0.817839D+01 -0.124170D+01
      4  -0.609484D+02  0.119553D+02  0.102200D+02 -0.112642D+02 -0.480721D+01
      5   0.140457D+02 -0.122775D+02  0.480200D+01 -0.437641D+01  0.407157D+01
      6  -0.884702D+01  0.536506D+01 -0.214220D+01  0.325311D+01 -0.152069D+01
               271           272           273           274           275 
      1  -0.123072D+02  0.267674D+02 -0.183745D+01  0.177051D+02 -0.367841D+02
      2   0.148873D+02 -0.294208D+02 -0.462207D-01 -0.162415D+02  0.513076D+02
      3  -0.258011D+01  0.265349D+01  0.188367D+01 -0.146367D+01 -0.145235D+02
      4   0.256651D+01 -0.495735D+01  0.122158D+01  0.383941D+01  0.214407D+02
      5   0.259222D+01 -0.260762D+01 -0.306171D+01 -0.374995D+01  0.421192D+01
      6  -0.124308D+01  0.407821D+01 -0.466638D+01  0.131860D+01 -0.604765D+01
               276           277           278           279           280 
      1   0.121689D+00  0.353007D+01 -0.583512D+01 -0.659318D+01  0.129615D+01
      2   0.594421D+00 -0.242756D+01  0.921995D+01  0.443954D+01 -0.226273D+01
      3  -0.716110D+00 -0.110251D+01 -0.338483D+01  0.215364D+01  0.966576D+00
      4  -0.198717D+00  0.166254D+01  0.749857D+01 -0.756012D+00  0.277808D+01
      5   0.244317D+01 -0.162473D+01  0.185466D+01  0.704790D+00 -0.406924D+01
      6   0.550708D+01 -0.305031D+01  0.494794D+01  0.787584D+00 -0.202515D+01
               281           282           283           284           285 
      1   0.478169D+01 -0.793116D+01 -0.794173D+00 -0.321599D+01 -0.265535D+01
      2  -0.446364D+01  0.109249D+01 -0.131225D+01 -0.503293D+00 -0.365167D+01
      3  -0.318044D+00  0.683868D+01  0.210642D+01  0.371928D+01  0.630702D+01
      4   0.401843D+00 -0.257533D+01 -0.174635D+01 -0.612922D+01 -0.176567D+01
      5  -0.476524D+00 -0.410643D+00  0.133998D+01 -0.748013D+00 -0.739499D+01
      6   0.143164D+01 -0.285986D+01  0.118638D+01  0.151605D+01 -0.799552D+00
               286           287           288           289           290 
      1  -0.855933D+01  0.180601D+01 -0.185331D+02  0.795458D+02  0.260743D+02
      2   0.324007D+01 -0.545861D+01 -0.145775D+02 -0.247184D+02 -0.124525D+01
      3   0.531926D+01  0.365259D+01  0.331106D+02 -0.548274D+02 -0.248291D+02
      4  -0.587345D+01 -0.842016D+01 -0.293121D+01  0.699443D+02  0.405332D+02
      5   0.542626D+01  0.543156D+00 -0.328489D+02 -0.222452D+02 -0.106563D+02
      6   0.490746D+00  0.473718D+01 -0.195517D+02 -0.918215D+01 -0.716567D+01
               291           292           293           294           295 
      1  -0.587096D+01  0.173569D+02  0.953545D+01 -0.195142D+01  0.109104D+01
      2   0.229858D+01  0.917477D+00  0.651328D+01  0.950008D-01  0.131198D+01
      3   0.357237D+01 -0.182744D+02 -0.160487D+02  0.185642D+01 -0.240302D+01
      4  -0.966693D+01  0.321344D+02  0.254377D+02 -0.361694D+01  0.957150D-01
      5   0.133078D+02 -0.652809D+01 -0.365449D+01  0.329351D+01  0.118844D+02
      6   0.742102D+01 -0.453358D+01 -0.395543D+01  0.268545D+01  0.598795D+01
               296           297 
      1  -0.119420D+01  0.576538D+01
      2   0.227802D+01 -0.433261D+01
      3  -0.108382D+01 -0.143278D+01
      4   0.159335D+01  0.579494D+01
      5   0.440645D+01 -0.486772D+01
      6   0.305597D+01 -0.240607D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:22:39 2021, MaxMem=  6442450944 cpu:           43059.6 elap:            6302.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19697 -19.14121 -10.32755 -10.21400 -10.20290
 Alpha  occ. eigenvalues --  -10.19641 -10.19227 -10.19220 -10.19040 -10.18966
 Alpha  occ. eigenvalues --  -10.18961 -10.18640 -10.18528 -10.17653 -10.17309
 Alpha  occ. eigenvalues --   -1.10908  -1.01860  -0.86727  -0.82190  -0.79701
 Alpha  occ. eigenvalues --   -0.74620  -0.74314  -0.68432  -0.68130  -0.67090
 Alpha  occ. eigenvalues --   -0.61545  -0.60540  -0.57460  -0.56075  -0.51844
 Alpha  occ. eigenvalues --   -0.51122  -0.49091  -0.47412  -0.47084  -0.45372
 Alpha  occ. eigenvalues --   -0.45118  -0.44440  -0.43141  -0.42599  -0.42088
 Alpha  occ. eigenvalues --   -0.41938  -0.39285  -0.38810  -0.38390  -0.37672
 Alpha  occ. eigenvalues --   -0.36878  -0.36590  -0.35369  -0.34638  -0.33748
 Alpha  occ. eigenvalues --   -0.33621  -0.33130  -0.32735  -0.29242  -0.26233
 Alpha  occ. eigenvalues --   -0.24722
 Alpha virt. eigenvalues --   -0.02719  -0.01925   0.00126   0.00848   0.01757
 Alpha virt. eigenvalues --    0.02879   0.03557   0.04240   0.04923   0.05314
 Alpha virt. eigenvalues --    0.06585   0.06949   0.07823   0.08353   0.08547
 Alpha virt. eigenvalues --    0.09140   0.09769   0.10184   0.10658   0.11289
 Alpha virt. eigenvalues --    0.11481   0.11937   0.12597   0.13261   0.13530
 Alpha virt. eigenvalues --    0.13674   0.14266   0.14379   0.14639   0.15250
 Alpha virt. eigenvalues --    0.15403   0.15812   0.16249   0.16898   0.17551
 Alpha virt. eigenvalues --    0.18061   0.18789   0.19582   0.19839   0.20077
 Alpha virt. eigenvalues --    0.20887   0.21050   0.21954   0.22561   0.22671
 Alpha virt. eigenvalues --    0.23357   0.23790   0.24042   0.24475   0.25004
 Alpha virt. eigenvalues --    0.25611   0.26276   0.26684   0.27193   0.28075
 Alpha virt. eigenvalues --    0.28486   0.28569   0.28756   0.29418   0.29807
 Alpha virt. eigenvalues --    0.30150   0.30593   0.30656   0.31526   0.31662
 Alpha virt. eigenvalues --    0.32159   0.32616   0.32856   0.33210   0.33729
 Alpha virt. eigenvalues --    0.33888   0.34011   0.34333   0.34718   0.34929
 Alpha virt. eigenvalues --    0.35478   0.35564   0.35647   0.36115   0.36700
 Alpha virt. eigenvalues --    0.37140   0.37225   0.37539   0.37818   0.38094
 Alpha virt. eigenvalues --    0.38433   0.38977   0.39123   0.39331   0.39449
 Alpha virt. eigenvalues --    0.39805   0.40144   0.41124   0.41636   0.41838
 Alpha virt. eigenvalues --    0.42192   0.42573   0.42736   0.43080   0.43816
 Alpha virt. eigenvalues --    0.44131   0.44583   0.44862   0.44933   0.45564
 Alpha virt. eigenvalues --    0.46052   0.46228   0.46543   0.46962   0.47198
 Alpha virt. eigenvalues --    0.47751   0.48224   0.48699   0.49104   0.49417
 Alpha virt. eigenvalues --    0.49799   0.50007   0.50792   0.50988   0.51293
 Alpha virt. eigenvalues --    0.51782   0.52139   0.52401   0.53028   0.53407
 Alpha virt. eigenvalues --    0.54000   0.54179   0.55007   0.55194   0.55682
 Alpha virt. eigenvalues --    0.56077   0.56333   0.57069   0.57217   0.58037
 Alpha virt. eigenvalues --    0.58101   0.58375   0.58866   0.59311   0.59953
 Alpha virt. eigenvalues --    0.60132   0.61239   0.61600   0.61957   0.62565
 Alpha virt. eigenvalues --    0.62821   0.63019   0.63480   0.63690   0.64237
 Alpha virt. eigenvalues --    0.65118   0.65635   0.66482   0.67189   0.67727
 Alpha virt. eigenvalues --    0.68192   0.68791   0.69241   0.69711   0.70147
 Alpha virt. eigenvalues --    0.70770   0.71401   0.72258   0.72584   0.73246
 Alpha virt. eigenvalues --    0.74246   0.74449   0.75170   0.75346   0.75485
 Alpha virt. eigenvalues --    0.77095   0.77633   0.78067   0.78935   0.79572
 Alpha virt. eigenvalues --    0.80453   0.81865   0.82490   0.82896   0.83888
 Alpha virt. eigenvalues --    0.84325   0.85784   0.86611   0.86876   0.88221
 Alpha virt. eigenvalues --    0.89071   0.89269   0.90416   0.91420   0.92880
 Alpha virt. eigenvalues --    0.93485   0.94768   0.95303   0.96355   0.97140
 Alpha virt. eigenvalues --    0.98169   0.98895   0.99460   1.00612   1.00858
 Alpha virt. eigenvalues --    1.01450   1.01936   1.02519   1.03118   1.03829
 Alpha virt. eigenvalues --    1.04305   1.04848   1.05881   1.06066   1.06516
 Alpha virt. eigenvalues --    1.07243   1.08308   1.08850   1.09460   1.11801
 Alpha virt. eigenvalues --    1.13002   1.15416   1.16721   1.17768   1.18298
 Alpha virt. eigenvalues --    1.18663   1.19544   1.20136   1.21763   1.22120
 Alpha virt. eigenvalues --    1.23358   1.24347   1.24937   1.25418   1.26387
 Alpha virt. eigenvalues --    1.28043   1.28945   1.29961   1.31336   1.32005
 Alpha virt. eigenvalues --    1.33417   1.34088   1.34421   1.35842   1.36534
 Alpha virt. eigenvalues --    1.37432   1.38266   1.39036   1.40616   1.42282
 Alpha virt. eigenvalues --    1.43314   1.44841   1.44953   1.45634   1.48762
 Alpha virt. eigenvalues --    1.50279   1.51191   1.51760   1.54663   1.54834
 Alpha virt. eigenvalues --    1.56450   1.57489   1.59985   1.60676   1.62769
 Alpha virt. eigenvalues --    1.63627   1.64823   1.66525   1.66584   1.66736
 Alpha virt. eigenvalues --    1.69560   1.70804   1.71116   1.73080   1.74743
 Alpha virt. eigenvalues --    1.74965   1.75595   1.75853   1.77287   1.77914
 Alpha virt. eigenvalues --    1.78882   1.80307   1.81404   1.82264   1.83519
 Alpha virt. eigenvalues --    1.84138   1.84720   1.85630   1.87116   1.88717
 Alpha virt. eigenvalues --    1.89425   1.89717   1.90788   1.91352   1.92962
 Alpha virt. eigenvalues --    1.93234   1.94590   1.95489   1.96138   1.97593
 Alpha virt. eigenvalues --    1.98909   2.00096   2.00865   2.01720   2.02627
 Alpha virt. eigenvalues --    2.03871   2.05036   2.06190   2.06408   2.07545
 Alpha virt. eigenvalues --    2.07831   2.08635   2.09606   2.10524   2.11833
 Alpha virt. eigenvalues --    2.12247   2.13280   2.14339   2.15620   2.16560
 Alpha virt. eigenvalues --    2.17358   2.18608   2.19483   2.20628   2.20998
 Alpha virt. eigenvalues --    2.22618   2.23642   2.24284   2.25901   2.27131
 Alpha virt. eigenvalues --    2.28553   2.30856   2.31052   2.32826   2.34518
 Alpha virt. eigenvalues --    2.36309   2.37429   2.40094   2.41342   2.43043
 Alpha virt. eigenvalues --    2.43411   2.43856   2.45774   2.46239   2.48050
 Alpha virt. eigenvalues --    2.51078   2.52400   2.53530   2.55624   2.56255
 Alpha virt. eigenvalues --    2.57638   2.59063   2.61432   2.62167   2.64551
 Alpha virt. eigenvalues --    2.65955   2.67134   2.67553   2.68433   2.69068
 Alpha virt. eigenvalues --    2.70195   2.71592   2.73221   2.73852   2.80928
 Alpha virt. eigenvalues --    2.84698   2.85857   2.86445   2.89208   2.92849
 Alpha virt. eigenvalues --    2.94138   2.95454   2.96231   2.99375   3.00588
 Alpha virt. eigenvalues --    3.01602   3.03501   3.04042   3.05235   3.06912
 Alpha virt. eigenvalues --    3.07728   3.10624   3.12892   3.13706   3.15839
 Alpha virt. eigenvalues --    3.16401   3.17238   3.19089   3.21061   3.22510
 Alpha virt. eigenvalues --    3.23461   3.26274   3.27766   3.36642   3.38786
 Alpha virt. eigenvalues --    3.62955   3.66636   3.82167   3.94976
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.014573  -1.967590  -1.772340   0.771200   0.175154   0.065932
     2  C   -1.967590  13.957085   0.767789  -0.918842   0.692741  -1.492405
     3  C   -1.772340   0.767789   9.879054  -1.950594  -0.144887   0.339808
     4  C    0.771200  -0.918842  -1.950594  14.047003  -1.692135   0.871020
     5  C    0.175154   0.692741  -0.144887  -1.692135  10.604416  -1.484912
     6  C    0.065932  -1.492405   0.339808   0.871020  -1.484912   9.462381
     7  C   -1.176918   0.239027   0.044902   0.192030  -0.019649  -1.335092
     8  C    0.037738   0.017813   0.007701  -0.006989  -0.000884   0.046811
     9  C   -0.016703  -0.063171   0.004707  -0.003250  -0.006167   0.038271
    10  C   -0.002110  -0.032329  -0.001250   0.000072   0.000141  -0.016366
    11  C    0.012668   0.154666  -0.994246   0.474250  -1.494999   0.020712
    12  C    0.002025   0.024618  -0.192170  -0.005970  -0.116493  -0.011767
    13  O    0.012104  -0.003118   0.019019  -0.023108   0.020375   0.002774
    14  O    0.002280  -0.001834  -0.006266   0.006694  -0.006196   0.003721
    15  H    0.501791  -1.695084  -0.908195   0.023032   0.213742   0.056118
    16  H   -0.530887  -0.060357   0.634914  -1.664352   0.053876   0.178879
    17  H    0.200730  -0.143460   0.109201  -2.195318   0.694683  -0.959793
    18  H    0.097404  -1.823943   0.178406  -0.099889  -0.961481   0.691980
    19  H    0.077258  -0.173049   0.011931   0.009451   0.033018  -0.116507
    20  H    0.036253  -0.060802  -0.005036  -0.010686   0.000221   0.130431
    21  H   -0.109501  -0.034831   0.005485   0.000059   0.000999  -0.045153
    22  H    0.001844  -0.034016  -0.000338   0.000339  -0.000079   0.007408
    23  H   -0.010077   0.010575   0.000262   0.000796   0.001670  -0.014560
    24  H    0.022369   0.021395   0.001612  -0.004462   0.000476   0.013503
    25  H   -0.002540   0.006365   0.000105  -0.000032  -0.000182   0.002305
    26  H    0.002195  -0.002369  -0.000390   0.000023   0.000027  -0.002606
    27  H    0.000606   0.005245   0.000022  -0.000016  -0.000005   0.001380
    28  H    0.015844  -0.000628   0.117137  -0.339929  -0.105153   0.014374
    29  C   -0.010277   0.001423  -0.046606   0.084561  -0.036583   0.006448
    30  H   -0.000623  -0.000117  -0.000099   0.001284   0.001122  -0.000356
    31  H    0.000559  -0.000358   0.006838  -0.048187   0.055963  -0.003599
    32  H    0.009115   0.001227  -0.033197  -0.004028  -0.014290  -0.000117
    33  H   -0.001461   0.000475   0.000286  -0.036778  -0.020291   0.000064
               7          8          9         10         11         12
     1  C   -1.176918   0.037738  -0.016703  -0.002110   0.012668   0.002025
     2  C    0.239027   0.017813  -0.063171  -0.032329   0.154666   0.024618
     3  C    0.044902   0.007701   0.004707  -0.001250  -0.994246  -0.192170
     4  C    0.192030  -0.006989  -0.003250   0.000072   0.474250  -0.005970
     5  C   -0.019649  -0.000884  -0.006167   0.000141  -1.494999  -0.116493
     6  C   -1.335092   0.046811   0.038271  -0.016366   0.020712  -0.011767
     7  C    7.731043   0.018582  -0.054250   0.003173  -0.003852  -0.000590
     8  C    0.018582   6.084966   0.403654   0.292648  -0.000235   0.000120
     9  C   -0.054250   0.403654   4.091291  -0.051115  -0.000036   0.000005
    10  C    0.003173   0.292648  -0.051115   4.292651   0.000004   0.000001
    11  C   -0.003852  -0.000235  -0.000036   0.000004   8.078468   0.372232
    12  C   -0.000590   0.000120   0.000005   0.000001   0.372232   5.184219
    13  O    0.000051  -0.000039  -0.000000  -0.000000  -0.108528   0.119432
    14  O    0.000029   0.000009  -0.000003  -0.000001  -0.064782  -0.076014
    15  H   -0.538484   0.008003  -0.001420   0.005806   0.004139   0.006863
    16  H    0.013335   0.001836  -0.000471  -0.000098  -0.388418  -0.033034
    17  H    0.018609  -0.001957  -0.001376   0.000051  -0.587325  -0.073316
    18  H   -0.487708   0.018782   0.034136  -0.005541   0.024834   0.002623
    19  H    0.110921   0.036134  -0.032960   0.025168  -0.000239   0.000020
    20  H   -0.084730   0.039465   0.023989  -0.105750  -0.000152   0.000091
    21  H    0.125074  -0.002701   0.009640  -0.064430  -0.000113   0.000025
    22  H   -0.037650   0.130556   0.131759  -0.007844   0.000043  -0.000003
    23  H    0.069369   0.122481   0.088196  -0.004519   0.000016  -0.000001
    24  H   -0.146544   0.154337   0.219122   0.005449  -0.000067  -0.000004
    25  H    0.002211   0.211352  -0.012455   0.025094   0.000000   0.000000
    26  H   -0.009465  -0.041967   0.008434   0.393335   0.000001  -0.000000
    27  H    0.014723   0.183303  -0.018538   0.088975  -0.000001   0.000000
    28  H   -0.000038   0.000089  -0.000030  -0.000001   0.169688  -0.218118
    29  C   -0.000077  -0.000143   0.000036  -0.000000   0.253350   0.034612
    30  H   -0.000002  -0.000000   0.000000   0.000000   0.022984   0.135524
    31  H    0.000018  -0.000032   0.000007  -0.000000   0.118553   0.013082
    32  H   -0.000058   0.000062  -0.000020  -0.000000   0.131555   0.000969
    33  H   -0.000005   0.000004  -0.000002  -0.000000   0.223969  -0.017141
              13         14         15         16         17         18
     1  C    0.012104   0.002280   0.501791  -0.530887   0.200730   0.097404
     2  C   -0.003118  -0.001834  -1.695084  -0.060357  -0.143460  -1.823943
     3  C    0.019019  -0.006266  -0.908195   0.634914   0.109201   0.178406
     4  C   -0.023108   0.006694   0.023032  -1.664352  -2.195318  -0.099889
     5  C    0.020375  -0.006196   0.213742   0.053876   0.694683  -0.961481
     6  C    0.002774   0.003721   0.056118   0.178879  -0.959793   0.691980
     7  C    0.000051   0.000029  -0.538484   0.013335   0.018609  -0.487708
     8  C   -0.000039   0.000009   0.008003   0.001836  -0.001957   0.018782
     9  C   -0.000000  -0.000003  -0.001420  -0.000471  -0.001376   0.034136
    10  C   -0.000000  -0.000001   0.005806  -0.000098   0.000051  -0.005541
    11  C   -0.108528  -0.064782   0.004139  -0.388418  -0.587325   0.024834
    12  C    0.119432  -0.076014   0.006863  -0.033034  -0.073316   0.002623
    13  O    8.425925   0.029054  -0.000432   0.012902   0.008117  -0.000178
    14  O    0.029054   8.376874   0.000021  -0.002877  -0.009015   0.000719
    15  H   -0.000432   0.000021   3.915329  -0.891338  -0.027035   0.076980
    16  H    0.012902  -0.002877  -0.891338   3.162602   0.072480  -0.023837
    17  H    0.008117  -0.009015  -0.027035   0.072480   4.329285  -1.237479
    18  H   -0.000178   0.000719   0.076980  -0.023837  -1.237479   4.041824
    19  H   -0.000002  -0.000014   0.026771  -0.000137   0.002994  -0.059076
    20  H   -0.000016  -0.000001   0.003326  -0.001641  -0.000325   0.020827
    21  H   -0.000005   0.000000  -0.091363   0.001254   0.000578  -0.013013
    22  H    0.000000  -0.000000   0.000803  -0.000032   0.000227  -0.007971
    23  H    0.000000  -0.000000  -0.001041   0.000034   0.000140  -0.006503
    24  H    0.000005   0.000011   0.004042   0.000053   0.000583   0.015327
    25  H   -0.000000  -0.000000  -0.000836   0.000002  -0.000003   0.000772
    26  H    0.000000  -0.000000   0.002920  -0.000006  -0.000001  -0.000257
    27  H    0.000000   0.000000   0.000663  -0.000003  -0.000001   0.000252
    28  H    0.011378  -0.066658  -0.000576   0.019907   0.025330  -0.001910
    29  C    0.002701   0.024959   0.000396   0.010020  -0.047939   0.001500
    30  H   -0.056075   0.119801   0.000000   0.000725   0.000371  -0.000020
    31  H    0.006905  -0.002039   0.000398  -0.010198   0.024728  -0.000886
    32  H    0.009579  -0.001462   0.001366  -0.016248  -0.003814   0.000247
    33  H   -0.002893   0.007103  -0.000076   0.006051  -0.007362   0.000063
              19         20         21         22         23         24
     1  C    0.077258   0.036253  -0.109501   0.001844  -0.010077   0.022369
     2  C   -0.173049  -0.060802  -0.034831  -0.034016   0.010575   0.021395
     3  C    0.011931  -0.005036   0.005485  -0.000338   0.000262   0.001612
     4  C    0.009451  -0.010686   0.000059   0.000339   0.000796  -0.004462
     5  C    0.033018   0.000221   0.000999  -0.000079   0.001670   0.000476
     6  C   -0.116507   0.130431  -0.045153   0.007408  -0.014560   0.013503
     7  C    0.110921  -0.084730   0.125074  -0.037650   0.069369  -0.146544
     8  C    0.036134   0.039465  -0.002701   0.130556   0.122481   0.154337
     9  C   -0.032960   0.023989   0.009640   0.131759   0.088196   0.219122
    10  C    0.025168  -0.105750  -0.064430  -0.007844  -0.004519   0.005449
    11  C   -0.000239  -0.000152  -0.000113   0.000043   0.000016  -0.000067
    12  C    0.000020   0.000091   0.000025  -0.000003  -0.000001  -0.000004
    13  O   -0.000002  -0.000016  -0.000005   0.000000   0.000000   0.000005
    14  O   -0.000014  -0.000001   0.000000  -0.000000  -0.000000   0.000011
    15  H    0.026771   0.003326  -0.091363   0.000803  -0.001041   0.004042
    16  H   -0.000137  -0.001641   0.001254  -0.000032   0.000034   0.000053
    17  H    0.002994  -0.000325   0.000578   0.000227   0.000140   0.000583
    18  H   -0.059076   0.020827  -0.013013  -0.007971  -0.006503   0.015327
    19  H    1.290713  -0.355531  -0.037522   0.052524   0.001388  -0.013419
    20  H   -0.355531   1.280896   0.106111  -0.011236  -0.004640   0.002586
    21  H   -0.037522   0.106111   1.482707  -0.018717   0.057670  -0.043486
    22  H    0.052524  -0.011236  -0.018717   0.808482  -0.075490  -0.009050
    23  H    0.001388  -0.004640   0.057670  -0.075490   1.107721  -0.145465
    24  H   -0.013419   0.002586  -0.043486  -0.009050  -0.145465   0.998546
    25  H   -0.047677   0.009791  -0.000206   0.014386  -0.027674   0.001148
    26  H    0.005310  -0.037740  -0.019380  -0.001611   0.012482  -0.004276
    27  H   -0.000009   0.015458   0.032925  -0.015444   0.012019   0.004960
    28  H   -0.000023   0.000009  -0.000001  -0.000001  -0.000001   0.000025
    29  C    0.000000  -0.000006   0.000014   0.000001  -0.000003  -0.000022
    30  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
    31  H   -0.000002   0.000002   0.000004  -0.000001  -0.000003   0.000082
    32  H   -0.000002   0.000001  -0.000006   0.000000  -0.000001   0.000013
    33  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000   0.000001
              25         26         27         28         29         30
     1  C   -0.002540   0.002195   0.000606   0.015844  -0.010277  -0.000623
     2  C    0.006365  -0.002369   0.005245  -0.000628   0.001423  -0.000117
     3  C    0.000105  -0.000390   0.000022   0.117137  -0.046606  -0.000099
     4  C   -0.000032   0.000023  -0.000016  -0.339929   0.084561   0.001284
     5  C   -0.000182   0.000027  -0.000005  -0.105153  -0.036583   0.001122
     6  C    0.002305  -0.002606   0.001380   0.014374   0.006448  -0.000356
     7  C    0.002211  -0.009465   0.014723  -0.000038  -0.000077  -0.000002
     8  C    0.211352  -0.041967   0.183303   0.000089  -0.000143  -0.000000
     9  C   -0.012455   0.008434  -0.018538  -0.000030   0.000036   0.000000
    10  C    0.025094   0.393335   0.088975  -0.000001  -0.000000   0.000000
    11  C    0.000000   0.000001  -0.000001   0.169688   0.253350   0.022984
    12  C    0.000000  -0.000000   0.000000  -0.218118   0.034612   0.135524
    13  O   -0.000000   0.000000   0.000000   0.011378   0.002701  -0.056075
    14  O   -0.000000  -0.000000   0.000000  -0.066658   0.024959   0.119801
    15  H   -0.000836   0.002920   0.000663  -0.000576   0.000396   0.000000
    16  H    0.000002  -0.000006  -0.000003   0.019907   0.010020   0.000725
    17  H   -0.000003  -0.000001  -0.000001   0.025330  -0.047939   0.000371
    18  H    0.000772  -0.000257   0.000252  -0.001910   0.001500  -0.000020
    19  H   -0.047677   0.005310  -0.000009  -0.000023   0.000000   0.000000
    20  H    0.009791  -0.037740   0.015458   0.000009  -0.000006  -0.000000
    21  H   -0.000206  -0.019380   0.032925  -0.000001   0.000014   0.000000
    22  H    0.014386  -0.001611  -0.015444  -0.000001   0.000001   0.000000
    23  H   -0.027674   0.012482   0.012019  -0.000001  -0.000003   0.000000
    24  H    0.001148  -0.004276   0.004960   0.000025  -0.000022  -0.000000
    25  H    0.911783  -0.128307  -0.011995  -0.000000   0.000000   0.000000
    26  H   -0.128307   0.931257  -0.054654  -0.000000   0.000000   0.000000
    27  H   -0.011995  -0.054654   0.908361   0.000000  -0.000000  -0.000000
    28  H   -0.000000  -0.000000   0.000000   1.587007  -0.256336  -0.006154
    29  C    0.000000   0.000000  -0.000000  -0.256336   4.200839   0.001707
    30  H    0.000000   0.000000  -0.000000  -0.006154   0.001707   0.633496
    31  H    0.000000  -0.000000   0.000000   0.030144   0.098072  -0.000202
    32  H    0.000000   0.000000  -0.000000  -0.007294   0.241753  -0.000009
    33  H    0.000000   0.000000   0.000000   0.017772   0.146953  -0.000178
              31         32         33
     1  C    0.000559   0.009115  -0.001461
     2  C   -0.000358   0.001227   0.000475
     3  C    0.006838  -0.033197   0.000286
     4  C   -0.048187  -0.004028  -0.036778
     5  C    0.055963  -0.014290  -0.020291
     6  C   -0.003599  -0.000117   0.000064
     7  C    0.000018  -0.000058  -0.000005
     8  C   -0.000032   0.000062   0.000004
     9  C    0.000007  -0.000020  -0.000002
    10  C   -0.000000  -0.000000  -0.000000
    11  C    0.118553   0.131555   0.223969
    12  C    0.013082   0.000969  -0.017141
    13  O    0.006905   0.009579  -0.002893
    14  O   -0.002039  -0.001462   0.007103
    15  H    0.000398   0.001366  -0.000076
    16  H   -0.010198  -0.016248   0.006051
    17  H    0.024728  -0.003814  -0.007362
    18  H   -0.000886   0.000247   0.000063
    19  H   -0.000002  -0.000002  -0.000000
    20  H    0.000002   0.000001   0.000000
    21  H    0.000004  -0.000006   0.000000
    22  H   -0.000001   0.000000  -0.000000
    23  H   -0.000003  -0.000001  -0.000000
    24  H    0.000082   0.000013   0.000001
    25  H    0.000000   0.000000   0.000000
    26  H   -0.000000   0.000000   0.000000
    27  H    0.000000  -0.000000   0.000000
    28  H    0.030144  -0.007294   0.017772
    29  C    0.098072   0.241753   0.146953
    30  H   -0.000202  -0.000009  -0.000178
    31  H    0.904752  -0.007950  -0.094815
    32  H   -0.007950   0.726885   0.009958
    33  H   -0.094815   0.009958   0.782932
 Mulliken charges:
               1
     1  C   -0.458617
     2  C   -1.392142
     3  C   -0.073568
     4  C   -1.477250
     5  C   -0.444239
     6  C   -0.471087
     7  C    1.312014
     8  C   -1.761498
     9  C    1.208718
    10  C    1.158787
    11  C   -0.419138
    12  C    0.848159
    13  O   -0.485925
    14  O   -0.334114
    15  H    0.303371
    16  H    0.455066
    17  H    0.807412
    18  H    0.523017
    19  H    0.152568
    20  H    0.008836
    21  H   -0.342120
    22  H    0.071113
    23  H   -0.194843
    24  H   -0.098849
    25  H    0.046593
    26  H   -0.052957
    27  H   -0.168226
    28  H   -0.005853
    29  C    1.288648
    30  H    0.146822
    31  H   -0.091834
    32  H   -0.044235
    33  H   -0.014631
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.155246
     2  C   -1.392142
     3  C    0.381498
     4  C   -1.477250
     5  C    0.363173
     6  C    0.051930
     7  C    1.473418
     8  C   -2.103618
     9  C    0.986139
    10  C    0.984198
    11  C   -0.424991
    12  C    0.848159
    13  O   -0.485925
    14  O   -0.187292
    29  C    1.137947
 Electronic spatial extent (au):  <R**2>=           4747.6297
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0873    Y=              0.3562    Z=              1.2020  Tot=              1.6595
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.9037   YY=            -90.3821   ZZ=            -93.6610
   XY=              1.4753   XZ=              6.4742   YZ=              0.0571
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0786   YY=              1.6001   ZZ=             -1.6787
   XY=              1.4753   XZ=              6.4742   YZ=              0.0571
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.0154  YYY=            -15.9760  ZZZ=              3.3119  XYY=             28.1782
  XXY=             -8.6487  XXZ=             30.8211  XZZ=             -8.6813  YZZ=              2.6370
  YYZ=              1.8800  XYZ=             -8.8087
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5291.8251 YYYY=           -603.5331 ZZZZ=           -526.5978 XXXY=            -96.6157
 XXXZ=            147.9104 YYYX=            -60.7731 YYYZ=             -9.5859 ZZZX=              2.5341
 ZZZY=              9.4705 XXYY=           -907.9848 XXZZ=          -1023.8036 YYZZ=           -193.7468
 XXYZ=            -53.0074 YYXZ=             30.0481 ZZXY=              5.5427
 N-N= 9.704802965700D+02 E-N=-3.463681853143D+03  KE= 6.490934745453D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:22:42 2021, MaxMem=  6442450944 cpu:              10.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1938    2.1903        4.6218    4.6239
 2     -2.1938   -2.1903       -3.5336   -3.5348      -43.2739  -43.2717
 3     -4.6218   -4.6239       36.8852   36.8868        3.5369    3.5348
 4      3.5336    3.5348        0.0000    0.0000       -4.6198   -4.6239
 5      6.3887    6.3849        4.6198    4.6239        2.1878    2.1903
 6     -3.5369   -3.5348       -2.1878   -2.1903        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.5708   -6.5708       13.8718   13.8718
 2     10.6044   10.6044        0.0000    0.0000       13.8718   13.8718
 3     10.6044   10.6044       -6.5708   -6.5708       -0.0000    0.0000
 4     -6.5708   -6.5708      -10.6044  -10.6044     -129.8150 -129.8150
 5    -13.8718  -13.8718      110.6604  110.6604       10.6044   10.6044
 6     19.1546   19.1546       13.8718   13.8718        6.5708    6.5708
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0349    0.0000       -8.8064   -8.7611      -18.7265  -18.4958
 2      8.7622    8.7611       14.1483   14.1392      173.4051  173.0866
 3     18.4069   18.4958     -147.6348 -147.5472      -14.2755  -14.1392
 4    -14.1089  -14.1392       -0.0192    0.0000       18.3253   18.4958
 5    -25.4995  -25.5394      -18.4805  -18.4958       -8.6805   -8.7611
 6     14.0584   14.1392        8.7785    8.7611       -0.0244    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2335    0.0000       22.5614   22.7738       44.2133   44.3564
 2    -22.8085  -22.7738       17.9192   18.0318       45.7087   45.2188
 3    -44.3512  -44.3564        3.5575    3.5973      -17.8609  -18.0318
 4    -17.8348  -18.0318        0.0590    0.0000      -44.3146  -44.3564
 5    -48.8576  -48.8160       44.4211   44.3564       22.5170   22.7738
 6     18.0575   18.0318      -22.7433  -22.7738        0.0796    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.4185   22.6576       29.0925   29.2643      -23.5024  -23.6541
 2    -22.2246  -22.2695       81.0831   81.1635      -23.6137  -23.6541
 3    -22.2383  -22.2695       29.2000   29.2643      -52.7518  -52.8225
 4    -51.7071  -51.8992       44.9782   44.9271       46.6225   46.2687
 5    -29.1635  -29.1684       34.5890   34.5255      -44.6654  -44.9271
 6    -80.8245  -80.7942       29.0091   29.1684       51.4642   51.8992
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.3203                 1.1296                 1.8614
  Dep-P Fr= 1--      0.6837                 0.7486                 0.7416
  Dep-U Fr= 1--      0.8122                 0.8562                 0.8516
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0434                 0.1612                 0.2642
 AlphaG Fr= 1--     -0.0015                 0.0009                 0.0026
 Gamma2 Fr= 1--      0.2590                -0.9588                 0.1790
 Delta2 Fr= 1--      0.1936                -0.2407                -0.8728
 Raman1 Fr= 1--       1.281                  4.518                  7.446
 ROA1   Fr= 1--      31.058                -99.749                -10.748
 CID1   Fr= 1--      24.244                -22.076                 -1.444
 Raman2 Fr= 1--       0.520                  1.934                  3.170
 ROA2   Fr= 1--       4.667                -21.086                 11.278
 CID2   Fr= 1--       8.972                -10.901                  3.557
 Raman3 Fr= 1--       1.040                  3.869                  6.341
 ROA3   Fr= 1--      31.058                -99.749                -10.748
 CID3   Fr= 1--      29.851                -25.783                 -1.695
 RC180  Fr= 1--       0.624                  0.712                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.2638                 1.7170                 2.3752
  Dep-P Fr= 1--      0.7319                 0.7348                 0.6654
  Dep-U Fr= 1--      0.8452                 0.8471                 0.7991
 Alpha2 Fr= 1--      0.0007                 0.0004                 0.0036
 Beta2  Fr= 1--      0.3189                 0.2424                 0.3163
 AlphaG Fr= 1--     -0.0014                 0.0004                 0.0018
 Gamma2 Fr= 1--     -0.2935                 0.1587                -0.0228
 Delta2 Fr= 1--     -0.0952                 0.5339                 0.1435
 Raman1 Fr= 1--       9.055                  6.868                  9.501
 ROA1   Fr= 1--     -31.220                 32.322                  2.402
 CID1   Fr= 1--      -3.448                  4.706                  0.253
 Raman2 Fr= 1--       3.827                  2.909                  3.796
 ROA2   Fr= 1--      -6.283                 -0.461                 -1.696
 CID2   Fr= 1--      -1.642                 -0.159                 -0.447
 Raman3 Fr= 1--       7.653                  5.818                  7.592
 ROA3   Fr= 1--     -31.220                 32.322                  2.402
 CID3   Fr= 1--      -4.079                  5.555                  0.316
 RC180  Fr= 1--       0.690                  0.694                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7505                 0.2484                 0.2574
  Dep-P Fr= 1--      0.6151                 0.5872                 0.2398
  Dep-U Fr= 1--      0.7617                 0.7399                 0.3868
 Alpha2 Fr= 1--      0.0019                 0.0008                 0.0031
 Beta2  Fr= 1--      0.0953                 0.0306                 0.0166
 AlphaG Fr= 1--     -0.0064                -0.0025                -0.0000
 Gamma2 Fr= 1--      0.3903                 0.3982                 0.2339
 Delta2 Fr= 1--      0.1951                 0.3122                 0.1302
 Raman1 Fr= 1--       3.002                  0.993                  1.030
 ROA1   Fr= 1--      43.710                 48.212                 26.620
 CID1   Fr= 1--      14.560                 48.530                 25.855
 Raman2 Fr= 1--       1.143                  0.368                  0.199
 ROA2   Fr= 1--       7.805                  7.059                  4.572
 CID2   Fr= 1--       6.827                 19.206                 22.961
 Raman3 Fr= 1--       2.287                  0.735                  0.398
 ROA3   Fr= 1--      43.710                 48.212                 26.620
 CID3   Fr= 1--      19.114                 65.590                 66.841
 RC180  Fr= 1--       0.523                  0.480                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0569                 2.1665                 0.2548
  Dep-P Fr= 1--      0.7498                 0.2032                 0.7389
  Dep-U Fr= 1--      0.8570                 0.3378                 0.8498
 Alpha2 Fr= 1--      0.0000                 0.0292                 0.0000
 Beta2  Fr= 1--      0.0081                 0.1220                 0.0361
 AlphaG Fr= 1--      0.0000                -0.0055                 0.0020
 Gamma2 Fr= 1--     -0.1655                -0.1453                -0.4349
 Delta2 Fr= 1--      0.0038                 0.1064                -0.1957
 Raman1 Fr= 1--       0.228                  8.666                  1.019
 ROA1   Fr= 1--     -15.772                -10.547                -48.012
 CID1   Fr= 1--     -69.267                 -1.217                -47.099
 Raman2 Fr= 1--       0.098                  1.464                  0.433
 ROA2   Fr= 1--      -4.003                 -4.340                 -8.873
 CID2   Fr= 1--     -41.028                 -2.965                -20.484
 Raman3 Fr= 1--       0.195                  2.927                  0.866
 ROA3   Fr= 1--     -15.772                -10.547                -48.012
 CID3   Fr= 1--     -80.824                 -3.603                -55.422
 RC180  Fr= 1--       0.714                 -0.324                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      1.7920                 0.4983                 2.3771
  Dep-P Fr= 1--      0.0733                 0.6619                 0.7263
  Dep-U Fr= 1--      0.1366                 0.7966                 0.8414
 Alpha2 Fr= 1--      0.0335                 0.0008                 0.0010
 Beta2  Fr= 1--      0.0408                 0.0662                 0.3334
 AlphaG Fr= 1--      0.0124                 0.0013                 0.0051
 Gamma2 Fr= 1--      0.0403                -0.1362                 0.3666
 Delta2 Fr= 1--     -0.0580                -0.3378                -0.2080
 Raman1 Fr= 1--       7.168                  1.993                  9.508
 ROA1   Fr= 1--       2.009                -23.882                 28.534
 CID1   Fr= 1--       0.280                -11.982                  3.001
 Raman2 Fr= 1--       0.489                  0.794                  4.000
 ROA2   Fr= 1--       1.430                 -0.565                 10.462
 CID2   Fr= 1--       2.921                 -0.712                  2.615
 Raman3 Fr= 1--       0.979                  1.588                  8.001
 ROA3   Fr= 1--       2.009                -23.882                 28.534
 CID3   Fr= 1--       2.053                -15.043                  3.566
 RC180  Fr= 1--      -0.727                  0.593                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.5308                 4.0439                 0.1272
  Dep-P Fr= 1--      0.0968                 0.1579                 0.5931
  Dep-U Fr= 1--      0.1765                 0.2727                 0.7446
 Alpha2 Fr= 1--      0.0094                 0.0613                 0.0004
 Beta2  Fr= 1--      0.0156                 0.1838                 0.0158
 AlphaG Fr= 1--     -0.0028                -0.0324                 0.0089
 Gamma2 Fr= 1--     -0.2958                -0.0341                -0.3441
 Delta2 Fr= 1--     -0.0601                 0.2299                -0.0318
 Raman1 Fr= 1--       2.123                 16.176                  0.509
 ROA1   Fr= 1--     -30.318                  4.084                -34.055
 CID1   Fr= 1--     -14.279                  0.252                -66.933
 Raman2 Fr= 1--       0.187                  2.206                  0.189
 ROA2   Fr= 1--      -6.619                 -2.657                 -8.005
 CID2   Fr= 1--     -35.314                 -1.205                -42.260
 Raman3 Fr= 1--       0.375                  4.412                  0.379
 ROA3   Fr= 1--     -30.318                  4.084                -34.055
 CID3   Fr= 1--     -80.884                  0.926                -89.894
 RC180  Fr= 1--      -0.647                 -0.455                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.4831                 1.2527                 0.4653
  Dep-P Fr= 1--      0.4130                 0.2329                 0.6956
  Dep-U Fr= 1--      0.5845                 0.3778                 0.8205
 Alpha2 Fr= 1--      0.0034                 0.0156                 0.0004
 Beta2  Fr= 1--      0.0471                 0.0789                 0.0636
 AlphaG Fr= 1--     -0.0131                -0.0041                -0.0004
 Gamma2 Fr= 1--     -0.1782                -0.1955                 0.0876
 Delta2 Fr= 1--     -0.0468                 0.1890                 0.1462
 Raman1 Fr= 1--       1.932                  5.011                  1.861
 ROA1   Fr= 1--     -18.606                -12.723                 13.084
 CID1   Fr= 1--      -9.629                 -2.539                  7.030
 Raman2 Fr= 1--       0.565                  0.947                  0.764
 ROA2   Fr= 1--      -3.903                 -6.205                  0.931
 CID2   Fr= 1--      -6.911                 -6.556                  1.220
 Raman3 Fr= 1--       1.129                  1.893                  1.527
 ROA3   Fr= 1--     -18.606                -12.723                 13.084
 CID3   Fr= 1--     -16.473                 -6.721                  8.568
 RC180  Fr= 1--       0.169                 -0.244                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.7806                 0.8730                 3.4334
  Dep-P Fr= 1--      0.2498                 0.7500                 0.6134
  Dep-U Fr= 1--      0.3997                 0.8571                 0.7604
 Alpha2 Fr= 1--      0.0211                 0.0000                 0.0086
 Beta2  Fr= 1--      0.1186                 0.1247                 0.4351
 AlphaG Fr= 1--     -0.0056                 0.0001                -0.0334
 Gamma2 Fr= 1--     -0.4418                -1.3312                -0.2433
 Delta2 Fr= 1--      0.1836                -0.5347                 0.0880
 Raman1 Fr= 1--       7.122                  3.492                 13.734
 ROA1   Fr= 1--     -36.539               -144.905                -20.542
 CID1   Fr= 1--      -5.130                -41.496                 -1.496
 Raman2 Fr= 1--       1.424                  1.497                  5.221
 ROA2   Fr= 1--     -12.073                -27.671                 -6.543
 CID2   Fr= 1--      -8.481                -18.490                 -1.253
 Raman3 Fr= 1--       2.847                  2.993                 10.443
 ROA3   Fr= 1--     -36.539               -144.905                -20.542
 CID3   Fr= 1--     -12.834                -48.413                 -1.967
 RC180  Fr= 1--      -0.201                  0.714                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.6673                 1.6441                15.4758
  Dep-P Fr= 1--      0.5580                 0.1607                 0.0476
  Dep-U Fr= 1--      0.7163                 0.2768                 0.0909
 Alpha2 Fr= 1--      0.0170                 0.0247                 0.3074
 Beta2  Fr= 1--      0.5572                 0.0759                 0.2345
 AlphaG Fr= 1--     -0.0225                 0.0145                 0.1734
 Gamma2 Fr= 1--      0.1233                 1.3408                 0.2141
 Delta2 Fr= 1--     -0.4059                 0.1852                -0.4381
 Raman1 Fr= 1--      18.669                  6.576                 61.903
 ROA1   Fr= 1--      -1.153                134.640                  6.531
 CID1   Fr= 1--      -0.062                 20.473                  0.106
 Raman2 Fr= 1--       6.686                  0.910                  2.814
 ROA2   Fr= 1--       6.206                 30.696                  8.642
 CID2   Fr= 1--       0.928                 33.722                  3.071
 Raman3 Fr= 1--      13.373                  1.821                  5.628
 ROA3   Fr= 1--      -1.153                134.640                  6.531
 CID3   Fr= 1--      -0.086                 73.955                  1.161
 RC180  Fr= 1--       0.433                 -0.446                 -0.818
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      7.1710                 6.6742                28.6341
  Dep-P Fr= 1--      0.0764                 0.1843                 0.0561
  Dep-U Fr= 1--      0.1420                 0.3112                 0.1062
 Alpha2 Fr= 1--      0.1330                 0.0945                 0.5575
 Beta2  Fr= 1--      0.1697                 0.3461                 0.5069
 AlphaG Fr= 1--      0.0580                 0.0326                 0.1800
 Gamma2 Fr= 1--      2.3493                -1.4160                 1.5089
 Delta2 Fr= 1--      1.3801                -0.7293                -0.0484
 Raman1 Fr= 1--      28.684                 26.697                114.537
 ROA1   Fr= 1--     269.693               -159.272                143.305
 CID1   Fr= 1--       9.402                 -5.966                  1.251
 Raman2 Fr= 1--       2.036                  4.154                  6.083
 ROA2   Fr= 1--      45.342                -28.149                 36.601
 CID2   Fr= 1--      22.270                 -6.777                  6.017
 Raman3 Fr= 1--       4.072                  8.307                 12.167
 ROA3   Fr= 1--     269.693               -159.272                143.305
 CID3   Fr= 1--      66.230                -19.172                 11.779
 RC180  Fr= 1--      -0.716                 -0.378                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.2531                 8.8971                 2.0957
  Dep-P Fr= 1--      0.3336                 0.2437                 0.2188
  Dep-U Fr= 1--      0.5003                 0.3919                 0.3590
 Alpha2 Fr= 1--      0.0116                 0.1073                 0.0271
 Beta2  Fr= 1--      0.1045                 0.5812                 0.1254
 AlphaG Fr= 1--     -0.0421                -0.0800                 0.0157
 Gamma2 Fr= 1--     -0.2324                -0.6888                 1.7101
 Delta2 Fr= 1--     -0.5273                -1.2055                 1.4582
 Raman1 Fr= 1--       5.013                 35.588                  8.383
 ROA1   Fr= 1--     -39.182               -104.705                210.835
 CID1   Fr= 1--      -7.817                 -2.942                 25.150
 Raman2 Fr= 1--       1.254                  6.974                  1.505
 ROA2   Fr= 1--      -1.359                 -6.888                 29.378
 CID2   Fr= 1--      -1.084                 -0.988                 19.522
 Raman3 Fr= 1--       2.508                 13.948                  3.010
 ROA3   Fr= 1--     -39.182               -104.705                210.835
 CID3   Fr= 1--     -15.624                 -7.507                 70.050
 RC180  Fr= 1--       0.001                 -0.216                 -0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.8098                 1.1108                 4.7868
  Dep-P Fr= 1--      0.7499                 0.5128                 0.7127
  Dep-U Fr= 1--      0.8571                 0.6780                 0.8323
 Alpha2 Fr= 1--      0.0000                 0.0052                 0.0031
 Beta2  Fr= 1--      0.4014                 0.1255                 0.6640
 AlphaG Fr= 1--     -0.0003                -0.0265                 0.0036
 Gamma2 Fr= 1--      1.0647                 0.2505                 1.4716
 Delta2 Fr= 1--      0.2742                 0.6538                -0.3206
 Raman1 Fr= 1--      11.239                  4.443                 19.147
 ROA1   Fr= 1--     110.989                 44.971                131.013
 CID1   Fr= 1--       9.875                 10.121                  6.842
 Raman2 Fr= 1--       4.817                  1.506                  7.968
 ROA2   Fr= 1--      23.360                  0.783                 37.883
 CID2   Fr= 1--       4.850                  0.520                  4.754
 Raman3 Fr= 1--       9.633                  3.012                 15.936
 ROA3   Fr= 1--     110.989                 44.971                131.013
 CID3   Fr= 1--      11.522                 14.929                  8.221
 RC180  Fr= 1--       0.714                  0.356                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      1.8090                 2.3223                 0.5125
  Dep-P Fr= 1--      0.6939                 0.6584                 0.7446
  Dep-U Fr= 1--      0.8193                 0.7940                 0.8536
 Alpha2 Fr= 1--      0.0018                 0.0038                 0.0000
 Beta2  Fr= 1--      0.2470                 0.3073                 0.0729
 AlphaG Fr= 1--     -0.0384                -0.0049                 0.0004
 Gamma2 Fr= 1--      0.2141                 0.3816                 0.8185
 Delta2 Fr= 1--     -0.1220                 0.3127                -0.0844
 Raman1 Fr= 1--       7.236                  9.289                  2.050
 ROA1   Fr= 1--      16.650                 46.643                 75.874
 CID1   Fr= 1--       2.301                  5.021                 37.008
 Raman2 Fr= 1--       2.964                  3.688                  0.875
 ROA2   Fr= 1--       6.114                  6.658                 20.319
 CID2   Fr= 1--       2.063                  1.805                 23.221
 Raman3 Fr= 1--       5.929                  7.376                  1.750
 ROA3   Fr= 1--      16.650                 46.643                 75.874
 CID3   Fr= 1--       2.808                  6.324                 43.354
 RC180  Fr= 1--       0.639                  0.588                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     14.1046                 0.0442                 3.7167
  Dep-P Fr= 1--      0.2489                 0.7051                 0.6706
  Dep-U Fr= 1--      0.3986                 0.8270                 0.8028
 Alpha2 Fr= 1--      0.1677                 0.0000                 0.0052
 Beta2  Fr= 1--      0.9369                 0.0061                 0.4973
 AlphaG Fr= 1--      0.0534                -0.0003                 0.0322
 Gamma2 Fr= 1--     -0.1931                -0.1610                -1.9551
 Delta2 Fr= 1--     -1.6262                 0.1074                 0.5083
 Raman1 Fr= 1--      56.418                  0.177                 14.867
 ROA1   Fr= 1--     -70.576                -12.016               -171.422
 CID1   Fr= 1--      -1.251                -67.977                -11.531
 Raman2 Fr= 1--      11.243                  0.073                  5.968
 ROA2   Fr= 1--       8.375                 -4.723                -50.988
 CID2   Fr= 1--       0.745                -64.611                 -8.544
 Raman3 Fr= 1--      22.487                  0.146                 11.935
 ROA3   Fr= 1--     -70.576                -12.016               -171.422
 CID3   Fr= 1--      -3.139                -82.194                -14.363
 RC180  Fr= 1--      -0.203                  0.654                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      2.0208                 4.4936                17.6222
  Dep-P Fr= 1--      0.2655                 0.3849                 0.4553
  Dep-U Fr= 1--      0.4195                 0.5559                 0.6257
 Alpha2 Fr= 1--      0.0229                 0.0351                 0.1057
 Beta2  Fr= 1--      0.1413                 0.4163                 1.8378
 AlphaG Fr= 1--     -0.0004                 0.0455                 0.1295
 Gamma2 Fr= 1--     -1.2051                 1.6651                -1.6245
 Delta2 Fr= 1--      0.5603                 1.0121                -0.9569
 Raman1 Fr= 1--       8.083                 17.975                 70.489
 ROA1   Fr= 1--     -97.763                192.236               -186.575
 CID1   Fr= 1--     -12.094                 10.695                 -2.647
 Raman2 Fr= 1--       1.696                  4.996                 22.053
 ROA2   Fr= 1--     -33.405                 31.865                -31.334
 CID2   Fr= 1--     -19.701                  6.378                 -1.421
 Raman3 Fr= 1--       3.391                  9.992                 44.107
 ROA3   Fr= 1--     -97.763                192.236               -186.575
 CID3   Fr= 1--     -28.828                 19.239                 -4.230
 RC180  Fr= 1--      -0.161                  0.112                  0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      8.3297                 1.6779                 3.7727
  Dep-P Fr= 1--      0.1486                 0.5304                 0.4703
  Dep-U Fr= 1--      0.2587                 0.6931                 0.6397
 Alpha2 Fr= 1--      0.1292                 0.0071                 0.0213
 Beta2  Fr= 1--      0.3591                 0.1938                 0.4022
 AlphaG Fr= 1--      0.0917                -0.0213                 0.0301
 Gamma2 Fr= 1--      2.1108                -2.0851                -1.2222
 Delta2 Fr= 1--      0.7469                -0.7925                 0.6772
 Raman1 Fr= 1--      33.319                  6.712                 15.091
 ROA1   Fr= 1--     226.542               -225.533                -95.660
 CID1   Fr= 1--       6.799                -33.604                 -6.339
 Raman2 Fr= 1--       4.309                  2.326                  4.827
 ROA2   Fr= 1--      44.685                -43.703                -34.751
 CID2   Fr= 1--      10.369                -18.789                 -7.200
 Raman3 Fr= 1--       8.619                  4.652                  9.654
 ROA3   Fr= 1--     226.542               -225.533                -95.660
 CID3   Fr= 1--      26.284                -48.482                 -9.909
 RC180  Fr= 1--      -0.483                  0.386                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     57.6705                45.2846                34.7667
  Dep-P Fr= 1--      0.1041                 0.1737                 0.1458
  Dep-U Fr= 1--      0.1886                 0.2960                 0.2546
 Alpha2 Fr= 1--      0.9996                 0.6588                 0.5431
 Beta2  Fr= 1--      1.8124                 2.2344                 1.4751
 AlphaG Fr= 1--      0.0506                -0.0345                 0.1628
 Gamma2 Fr= 1--      2.0966                 1.5920                 1.8707
 Delta2 Fr= 1--     -0.5895                -0.0039                -0.4255
 Raman1 Fr= 1--     230.682                181.138                139.067
 ROA1   Fr= 1--     182.412                152.706                165.970
 CID1   Fr= 1--       0.791                  0.843                  1.193
 Raman2 Fr= 1--      21.749                 26.813                 17.701
 ROA2   Fr= 1--      55.035                 38.239                 48.301
 CID2   Fr= 1--       2.531                  1.426                  2.729
 Raman3 Fr= 1--      43.497                 53.625                 35.401
 ROA3   Fr= 1--     182.412                152.706                165.970
 CID3   Fr= 1--       4.194                  2.848                  4.688
 RC180  Fr= 1--      -0.623                 -0.408                 -0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      6.7114                 6.4786                 4.7747
  Dep-P Fr= 1--      0.4797                 0.4998                 0.4880
  Dep-U Fr= 1--      0.6484                 0.6665                 0.6559
 Alpha2 Fr= 1--      0.0363                 0.0320                 0.0249
 Beta2  Fr= 1--      0.7253                 0.7196                 0.5220
 AlphaG Fr= 1--     -0.0011                 0.0410                 0.0086
 Gamma2 Fr= 1--     -2.3931                 2.3702                -5.6858
 Delta2 Fr= 1--      0.0287                 1.5177                -1.8247
 Raman1 Fr= 1--      26.846                 25.914                 19.099
 ROA1   Fr= 1--    -228.816                276.111               -604.229
 CID1   Fr= 1--      -8.523                 10.655                -31.637
 Raman2 Fr= 1--       8.703                  8.636                  6.263
 ROA2   Fr= 1--     -57.663                 44.744               -121.863
 CID2   Fr= 1--      -6.625                  5.181                -19.456
 Raman3 Fr= 1--      17.407                 17.271                 12.527
 ROA3   Fr= 1--    -228.816                276.111               -604.229
 CID3   Fr= 1--     -13.145                 15.987                -48.235
 RC180  Fr= 1--       0.297                  0.333                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     21.8080                 2.8010                12.2285
  Dep-P Fr= 1--      0.3161                 0.7491                 0.3299
  Dep-U Fr= 1--      0.4804                 0.8566                 0.4961
 Alpha2 Fr= 1--      0.2130                 0.0000                 0.1145
 Beta2  Fr= 1--      1.7460                 0.3999                 1.0111
 AlphaG Fr= 1--      0.0129                -0.0037                 0.1258
 Gamma2 Fr= 1--     -1.3976                 5.3817                -1.4874
 Delta2 Fr= 1--      0.5016                 1.8578                -1.1574
 Raman1 Fr= 1--      87.232                 11.204                 48.914
 ROA1   Fr= 1--    -118.117                576.094               -179.828
 CID1   Fr= 1--      -1.354                 51.418                 -3.676
 Raman2 Fr= 1--      20.952                  4.799                 12.133
 ROA2   Fr= 1--     -37.555                114.299                -26.439
 CID2   Fr= 1--      -1.792                 23.819                 -2.179
 Raman3 Fr= 1--      41.905                  9.597                 24.265
 ROA3   Fr= 1--    -118.117                576.094               -179.828
 CID3   Fr= 1--      -2.819                 60.027                 -7.411
 RC180  Fr= 1--      -0.039                  0.713                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      6.1168                27.5041                 5.2566
  Dep-P Fr= 1--      0.2326                 0.5204                 0.7436
  Dep-U Fr= 1--      0.3774                 0.6845                 0.8529
 Alpha2 Fr= 1--      0.0761                 0.1231                 0.0006
 Beta2  Fr= 1--      0.3848                 3.1380                 0.7473
 AlphaG Fr= 1--      0.2467                 0.2861                 0.0130
 Gamma2 Fr= 1--      4.0134                 3.4939                 2.0647
 Delta2 Fr= 1--      0.4991                -2.5766                -1.9885
 Raman1 Fr= 1--      24.467                110.016                 21.026
 ROA1   Fr= 1--     401.260                252.960                134.579
 CID1   Fr= 1--      16.400                  2.299                  6.401
 Raman2 Fr= 1--       4.617                 37.656                  8.967
 ROA2   Fr= 1--      92.330                104.465                 65.461
 CID2   Fr= 1--      19.996                  2.774                  7.300
 Raman3 Fr= 1--       9.235                 75.311                 17.934
 ROA3   Fr= 1--     401.260                252.960                134.579
 CID3   Fr= 1--      43.450                  3.359                  7.504
 RC180  Fr= 1--      -0.245                  0.369                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.1099                 1.3286                 1.8201
  Dep-P Fr= 1--      0.5402                 0.5310                 0.4485
  Dep-U Fr= 1--      0.7015                 0.6937                 0.6193
 Alpha2 Fr= 1--      0.0004                 0.0056                 0.0112
 Beta2  Fr= 1--      0.0128                 0.1536                 0.1879
 AlphaG Fr= 1--      0.0018                 0.0100                 0.0147
 Gamma2 Fr= 1--     -0.1018                -0.2342                 0.0843
 Delta2 Fr= 1--      0.0069                 0.1206                -0.1445
 Raman1 Fr= 1--       0.439                  5.314                  7.280
 ROA1   Fr= 1--      -9.548                -18.628                  3.465
 CID1   Fr= 1--     -21.727                 -3.505                  0.476
 Raman2 Fr= 1--       0.154                  1.843                  2.254
 ROA2   Fr= 1--      -2.497                 -6.586                  3.179
 CID2   Fr= 1--     -16.200                 -3.573                  1.410
 Raman3 Fr= 1--       0.308                  3.686                  4.509
 ROA3   Fr= 1--      -9.548                -18.628                  3.465
 CID3   Fr= 1--     -30.972                 -5.053                  0.769
 RC180  Fr= 1--       0.403                  0.387                  0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.6700                 2.0469                11.8700
  Dep-P Fr= 1--      0.4479                 0.6330                 0.7325
  Dep-U Fr= 1--      0.6187                 0.7753                 0.8456
 Alpha2 Fr= 1--      0.0041                 0.0043                 0.0036
 Beta2  Fr= 1--      0.0691                 0.2645                 1.6728
 AlphaG Fr= 1--     -0.0450                 0.0456                -0.0054
 Gamma2 Fr= 1--     -3.7567                 1.6084                 5.4750
 Delta2 Fr= 1--      1.6892                -0.2636                 0.8788
 Raman1 Fr= 1--       2.680                  8.187                 47.480
 ROA1   Fr= 1--    -306.591                145.969                553.724
 CID1   Fr= 1--    -114.402                 17.829                 11.662
 Raman2 Fr= 1--       0.829                  3.174                 20.074
 ROA2   Fr= 1--    -103.675                 40.710                124.369
 CID2   Fr= 1--    -125.053                 12.827                  6.196
 Raman3 Fr= 1--       1.658                  6.347                 40.148
 ROA3   Fr= 1--    -306.591                145.969                553.724
 CID3   Fr= 1--    -184.906                 22.996                 13.792
 RC180  Fr= 1--       0.237                  0.551                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      4.8978                 5.0010                 5.2105
  Dep-P Fr= 1--      0.5910                 0.6870                 0.6187
  Dep-U Fr= 1--      0.7429                 0.8145                 0.7644
 Alpha2 Fr= 1--      0.0145                 0.0055                 0.0125
 Beta2  Fr= 1--      0.6065                 0.6789                 0.6638
 AlphaG Fr= 1--     -0.0042                 0.0302                 0.0902
 Gamma2 Fr= 1--     -3.1427                 2.6311                -0.4552
 Delta2 Fr= 1--     -2.8628                -0.0390                 1.3941
 Raman1 Fr= 1--      19.591                 20.004                 20.842
 ROA1   Fr= 1--    -393.310                251.342                  0.909
 CID1   Fr= 1--     -20.076                 12.565                  0.044
 Raman2 Fr= 1--       7.278                  8.146                  7.966
 ROA2   Fr= 1--     -52.523                 63.459                -22.079
 CID2   Fr= 1--      -7.217                  7.790                 -2.772
 Raman3 Fr= 1--      14.555                 16.293                 15.932
 ROA3   Fr= 1--    -393.310                251.342                  0.909
 CID3   Fr= 1--     -27.022                 15.426                  0.057
 RC180  Fr= 1--       0.486                  0.629                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--      8.4386                 1.5189                 0.8289
  Dep-P Fr= 1--      0.7429                 0.4565                 0.7231
  Dep-U Fr= 1--      0.8525                 0.6269                 0.8393
 Alpha2 Fr= 1--      0.0010                 0.0091                 0.0004
 Beta2  Fr= 1--      1.1989                 0.1587                 0.1159
 AlphaG Fr= 1--      0.0069                -0.0078                 0.0082
 Gamma2 Fr= 1--     -0.7658                -1.8826                -0.2516
 Delta2 Fr= 1--      0.2263                -0.4517                -0.4027
 Raman1 Fr= 1--      33.754                  6.075                  3.316
 ROA1   Fr= 1--     -66.280               -195.188                -37.045
 CID1   Fr= 1--      -1.964                -32.127                -11.173
 Raman2 Fr= 1--      14.387                  1.904                  1.391
 ROA2   Fr= 1--     -20.190                -41.569                 -2.818
 CID2   Fr= 1--      -1.403                -21.830                 -2.025
 Raman3 Fr= 1--      28.775                  3.808                  2.783
 ROA3   Fr= 1--     -66.280               -195.188                -37.045
 CID3   Fr= 1--      -2.303                -51.251                -13.313
 RC180  Fr= 1--       0.705                  0.254                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.3849               184.1791                24.3557
  Dep-P Fr= 1--      0.7359                 0.4488                 0.1784
  Dep-U Fr= 1--      0.8479                 0.6196                 0.3028
 Alpha2 Fr= 1--      0.0003                 1.1345                 0.3500
 Beta2  Fr= 1--      0.1957                19.0182                 1.2292
 AlphaG Fr= 1--      0.0089                 0.3980                -0.6163
 Gamma2 Fr= 1--      0.1092                 7.1262                -2.5011
 Delta2 Fr= 1--     -0.0649                 0.2815                 1.1865
 Raman1 Fr= 1--       5.540                736.717                 97.423
 ROA1   Fr= 1--       8.408                693.125               -202.139
 CID1   Fr= 1--       1.518                  0.941                 -2.075
 Raman2 Fr= 1--       2.348                228.219                 14.750
 ROA2   Fr= 1--       3.140                168.777                -69.519
 CID2   Fr= 1--       1.337                  0.740                 -4.713
 Raman3 Fr= 1--       4.697                456.437                 29.501
 ROA3   Fr= 1--       8.408                693.125               -202.139
 CID3   Fr= 1--       1.790                  1.519                 -6.852
 RC180  Fr= 1--       0.696                  0.239                 -0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    145.9626                14.1931                29.5915
  Dep-P Fr= 1--      0.1913                 0.6532                 0.3065
  Dep-U Fr= 1--      0.3211                 0.7902                 0.4692
 Alpha2 Fr= 1--      2.0283                 0.0246                 0.2976
 Beta2  Fr= 1--      7.8126                 1.8692                 2.3142
 AlphaG Fr= 1--      1.0668                 0.1285                -0.3033
 Gamma2 Fr= 1--     10.4885                -6.2523                 0.0021
 Delta2 Fr= 1--      6.6363                -1.6922                -3.2990
 Raman1 Fr= 1--     583.850                 56.772                118.366
 ROA1   Fr= 1--    1219.253               -654.374               -105.364
 CID1   Fr= 1--       2.088                -11.526                 -0.890
 Raman2 Fr= 1--      93.751                 22.431                 27.770
 ROA2   Fr= 1--     198.633               -136.519                 26.443
 CID2   Fr= 1--       2.119                 -6.086                  0.952
 Raman3 Fr= 1--     187.502                 44.861                 55.540
 ROA3   Fr= 1--    1219.253               -654.374               -105.364
 CID3   Fr= 1--       6.503                -14.587                 -1.897
 RC180  Fr= 1--      -0.358                  0.580                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    435.9448               231.2333                31.4444
  Dep-P Fr= 1--      0.0110                 0.0683                 0.7078
  Dep-U Fr= 1--      0.0218                 0.1278                 0.8289
 Alpha2 Fr= 1--      9.4415                 4.3723                 0.0230
 Beta2  Fr= 1--      1.5826                 4.9260                 4.3442
 AlphaG Fr= 1--     -1.5194                -0.4273                -0.2127
 Gamma2 Fr= 1--     -1.6245                -0.3006                -0.2147
 Delta2 Fr= 1--     -0.2139                 3.7506                 1.8080
 Raman1 Fr= 1--    1743.779                924.933                125.778
 ROA1   Fr= 1--    -162.795                 91.160                 37.241
 CID1   Fr= 1--      -0.093                  0.099                  0.296
 Raman2 Fr= 1--      18.991                 59.112                 52.131
 ROA2   Fr= 1--     -37.277                -37.220                -19.617
 CID2   Fr= 1--      -1.963                 -0.630                 -0.376
 Raman3 Fr= 1--      37.982                118.224                104.262
 ROA3   Fr= 1--    -162.795                 91.160                 37.241
 CID3   Fr= 1--      -4.286                  0.771                  0.357
 RC180  Fr= 1--      -0.956                 -0.744                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     68.9084                23.7126               122.3694
  Dep-P Fr= 1--      0.2046                 0.7419                 0.4458
  Dep-U Fr= 1--      0.3397                 0.8518                 0.6167
 Alpha2 Fr= 1--      0.9245                 0.0033                 0.7629
 Beta2  Fr= 1--      3.9010                 3.3664                12.5772
 AlphaG Fr= 1--     -0.3915                -0.0263                -1.3055
 Gamma2 Fr= 1--     -3.7101               -10.6705                 5.6720
 Delta2 Fr= 1--     -2.3498                 3.8005               -17.6089
 Raman1 Fr= 1--     275.634                 94.850                489.478
 ROA1   Fr= 1--    -431.363               -902.755                -18.972
 CID1   Fr= 1--      -1.565                 -9.518                 -0.039
 Raman2 Fr= 1--      46.812                 40.397                150.926
 ROA2   Fr= 1--     -70.244               -286.498                276.999
 CID2   Fr= 1--      -1.501                 -7.092                  1.835
 Raman3 Fr= 1--      93.624                 80.793                301.853
 ROA3   Fr= 1--    -431.363               -902.755                -18.972
 CID3   Fr= 1--      -4.607                -11.174                 -0.063
 RC180  Fr= 1--      -0.321                  0.704                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    129.7669                55.1488               117.6627
  Dep-P Fr= 1--      0.6560                 0.7046                 0.6628
  Dep-U Fr= 1--      0.7923                 0.8267                 0.7972
 Alpha2 Fr= 1--      0.2183                 0.0436                 0.1829
 Beta2  Fr= 1--     17.1351                 7.5984                15.6330
 AlphaG Fr= 1--     -0.0395                -0.1749                 0.1033
 Gamma2 Fr= 1--      6.5910               -10.4114                -1.9922
 Delta2 Fr= 1--     12.2143                -1.3245                -4.0707
 Raman1 Fr= 1--     519.068                220.595                470.651
 ROA1   Fr= 1--    1023.595              -1041.877               -321.511
 CID1   Fr= 1--       1.972                 -4.723                 -0.683
 Raman2 Fr= 1--     205.621                 91.180                187.596
 ROA2   Fr= 1--      60.470               -239.278                -15.246
 CID2   Fr= 1--       0.294                 -2.624                 -0.081
 Raman3 Fr= 1--     411.242                182.360                375.192
 ROA3   Fr= 1--    1023.595              -1041.877               -321.511
 CID3   Fr= 1--       2.489                 -5.713                 -0.857
 RC180  Fr= 1--       0.585                  0.653                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     28.4941                14.3296               105.5495
  Dep-P Fr= 1--      0.6670                 0.1518                 0.6933
  Dep-U Fr= 1--      0.8002                 0.2636                 0.8189
 Alpha2 Fr= 1--      0.0421                 0.2205                 0.1047
 Beta2  Fr= 1--      3.8003                 0.6295                14.4053
 AlphaG Fr= 1--     -0.0088                 0.1909                 0.1315
 Gamma2 Fr= 1--      0.1651                 1.2075                -4.3317
 Delta2 Fr= 1--      2.0890                 0.9561                 1.1047
 Raman1 Fr= 1--     113.976                 57.318                422.198
 ROA1   Fr= 1--      82.696                146.515               -380.495
 CID1   Fr= 1--       0.726                  2.556                 -0.901
 Raman2 Fr= 1--      45.603                  7.554                172.864
 ROA2   Fr= 1--     -12.750                 21.331               -112.799
 CID2   Fr= 1--      -0.280                  2.824                 -0.653
 Raman3 Fr= 1--      91.206                 15.108                345.728
 ROA3   Fr= 1--      82.696                146.515               -380.495
 CID3   Fr= 1--       0.907                  9.698                 -1.101
 RC180  Fr= 1--       0.600                 -0.473                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    114.8440               129.5436               168.9580
  Dep-P Fr= 1--      0.1515                 0.1390                 0.2599
  Dep-U Fr= 1--      0.2632                 0.2441                 0.4125
 Alpha2 Fr= 1--      1.7686                 2.0588                 1.9477
 Beta2  Fr= 1--      5.0370                 5.2711                11.6162
 AlphaG Fr= 1--     -1.0839                 0.1138                -0.1812
 Gamma2 Fr= 1--     -6.7942                 5.3737                -5.7053
 Delta2 Fr= 1--     -2.9976                 1.2142                 0.4356
 Raman1 Fr= 1--     459.376                518.174                675.832
 ROA1   Fr= 1--    -748.164                554.733               -533.773
 CID1   Fr= 1--      -1.629                  1.071                 -0.790
 Raman2 Fr= 1--      60.444                 63.253                139.395
 ROA2   Fr= 1--    -139.079                119.256               -140.413
 CID2   Fr= 1--      -2.301                  1.885                 -1.007
 Raman3 Fr= 1--     120.888                126.506                278.789
 ROA3   Fr= 1--    -748.164                554.733               -533.773
 CID3   Fr= 1--      -6.189                  4.385                 -1.915
 RC180  Fr= 1--      -0.474                 -0.512                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224109D+03  0.924788D+01 -0.438056D+01
      2   0.924788D+01  0.137565D+03  0.706959D+01
      3  -0.438056D+01  0.706959D+01  0.150335D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.668936D+01 -0.140980D+01 -0.589315D+01
      2  -0.429466D+02 -0.159200D+02 -0.359752D+02
      3   0.286670D+02  0.540070D+02  0.848800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.259196D+03 -0.745552D+02 -0.508279D+02
      2   0.140927D+03  0.679468D+02  0.199453D+01
      3   0.118269D+03  0.660835D+01  0.488334D+02
      4  -0.103705D+02 -0.975767D+02 -0.280950D+02
      5  -0.468043D+02 -0.261378D+02 -0.753072D+02
      6  -0.691785D+01 -0.231502D+02  0.188938D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113121D+02  0.231657D+01 -0.868528D+00 -0.105757D+00 -0.123615D+00
      2   0.231657D+01  0.236092D+00  0.313012D+00 -0.123615D+00 -0.367602D+01
      3  -0.868528D+00  0.313012D+00 -0.160079D+01  0.162470D+01 -0.157108D+01
                 6             7             8             9            10 
      1   0.162470D+01 -0.133108D+02 -0.112088D+01  0.296561D+00 -0.334514D+02
      2  -0.157108D+01 -0.112088D+01  0.133206D-01  0.120746D+01 -0.354131D+01
      3   0.887197D+00  0.296561D+00  0.120746D+01 -0.154264D+01 -0.339813D+00
                11            12            13            14            15 
      1  -0.354131D+01 -0.339813D+00 -0.797937D+01 -0.523051D+01  0.123173D+01
      2  -0.178970D+01 -0.749391D+00 -0.523051D+01 -0.296555D+01  0.406727D+00
      3  -0.749391D+00 -0.271019D+01  0.123173D+01  0.406727D+00 -0.680728D+00
                16            17            18            19            20 
      1  -0.153755D+01  0.161787D+01 -0.128255D+01 -0.987661D+01 -0.262014D+01
      2   0.161787D+01  0.586582D+00 -0.141476D+00 -0.262014D+01  0.162797D+01
      3  -0.128255D+01 -0.141476D+00  0.151902D+01  0.433396D+00  0.147394D+01
                21            22            23            24            25 
      1   0.433396D+00 -0.949159D+01 -0.653145D-01  0.809571D+00 -0.125112D+02
      2   0.147394D+01 -0.653145D-01 -0.141963D+01 -0.162914D+01 -0.281279D+01
      3   0.109582D+01  0.809571D+00 -0.162914D+01  0.203496D+01  0.420957D+00
                26            27            28            29            30 
      1  -0.281279D+01  0.420957D+00  0.308826D+02  0.469310D+01 -0.172586D+01
      2  -0.123897D+01  0.123973D+01  0.469310D+01  0.231988D+01  0.749598D-01
      3   0.123973D+01 -0.236319D+01 -0.172586D+01  0.749598D-01  0.250179D+01
                31            32            33            34            35 
      1   0.501239D+01  0.593905D+01 -0.164257D+01 -0.114196D+01 -0.121561D+01
      2   0.593905D+01  0.218517D+01 -0.768415D+00 -0.121561D+01 -0.171234D+01
      3  -0.164257D+01 -0.768415D+00  0.153058D+01  0.112661D+01  0.391316D+00
                36            37            38            39            40 
      1   0.112661D+01 -0.136715D+02 -0.299335D+01  0.119971D+01 -0.145046D+01
      2   0.391316D+00 -0.299335D+01 -0.352265D+00 -0.371278D+00  0.794074D+00
      3   0.793927D+00  0.119971D+01 -0.371278D+00  0.322227D+01 -0.172021D+01
                41            42            43            44            45 
      1   0.794074D+00 -0.172021D+01  0.153779D+02  0.962426D+00 -0.159120D+01
      2   0.390086D+01  0.194613D+01  0.962426D+00  0.678286D+00 -0.146033D+01
      3   0.194613D+01 -0.940715D+00 -0.159120D+01 -0.146033D+01  0.126515D+01
                46            47            48            49            50 
      1   0.120087D+02  0.262338D+01 -0.657334D+00  0.118491D+02 -0.556895D+00
      2   0.262338D+01 -0.146526D+01 -0.141635D+01 -0.556895D+00  0.115935D+01
      3  -0.657334D+00 -0.141635D+01 -0.207214D+01 -0.266641D+00  0.203864D+01
                51            52            53            54            55 
      1  -0.266641D+00  0.118787D+02  0.248920D+01  0.108271D+01  0.200181D+02
      2   0.203864D+01  0.248920D+01  0.130407D+01 -0.120906D+01 -0.170544D+00
      3  -0.330554D+01  0.108271D+01 -0.120906D+01  0.152538D+01  0.122386D+01
                56            57            58            59            60 
      1  -0.170544D+00  0.122386D+01 -0.468730D+01  0.471144D+01 -0.133759D+01
      2   0.152756D+01 -0.596130D+00  0.471144D+01  0.601897D+01  0.170118D+01
      3  -0.596130D+00  0.206516D+01 -0.133759D+01  0.170118D+01  0.142594D+00
                61            62            63            64            65 
      1   0.915839D+01 -0.707171D+00  0.408517D+01 -0.489773D+01  0.420031D+01
      2  -0.707171D+00  0.281915D+01  0.107426D+01  0.420031D+01 -0.872151D+00
      3   0.408517D+01  0.107426D+01 -0.451695D+01  0.141794D+00  0.127906D+01
                66            67            68            69            70 
      1   0.141794D+00  0.139060D+02 -0.184843D+01  0.238842D+01 -0.724872D+01
      2   0.127906D+01 -0.184843D+01 -0.442262D+01 -0.183952D+01  0.115625D+01
      3  -0.325626D+01  0.238842D+01 -0.183952D+01  0.405462D+00 -0.504965D+01
                71            72            73            74            75 
      1   0.115625D+01 -0.504965D+01 -0.315016D+01 -0.480920D+01  0.671208D+00
      2  -0.261948D+01  0.798068D-01 -0.480920D+01  0.102603D+01 -0.133987D+01
      3   0.798068D-01  0.606767D+01  0.671208D+00 -0.133987D+01  0.288250D+01
                76            77            78            79            80 
      1  -0.624954D+01  0.125104D+01 -0.175071D+01  0.196613D+01 -0.170729D+01
      2   0.125104D+01  0.182500D+01  0.249716D+01 -0.170729D+01  0.355562D+01
      3  -0.175071D+01  0.249716D+01 -0.103831D+01  0.400091D+01 -0.173343D+01
                81            82            83            84            85 
      1   0.400091D+01 -0.240653D+01 -0.406099D+01  0.152491D-01 -0.693992D+01
      2  -0.173343D+01 -0.406099D+01  0.662225D+00 -0.168971D+01  0.233384D+01
      3  -0.428717D+01  0.152491D-01 -0.168971D+01  0.348793D+01 -0.223809D+01
                86            87            88            89            90 
      1   0.233384D+01 -0.223809D+01  0.158563D+01 -0.185322D+01  0.523021D+01
      2   0.504129D+01  0.344726D+01 -0.185322D+01  0.341262D+01  0.326838D+00
      3   0.344726D+01 -0.243761D+00  0.523021D+01  0.326838D+00 -0.310675D+01
                91            92            93            94            95 
      1  -0.645123D+01  0.125208D+00 -0.558056D+00  0.505420D+01 -0.650755D+01
      2   0.125208D+00 -0.257777D+01  0.549628D+00 -0.650755D+01 -0.641164D+00
      3  -0.558056D+00  0.549628D+00 -0.132566D+01  0.118142D+01  0.119831D+01
                96            97            98            99           100 
      1   0.118142D+01  0.243301D+01  0.197749D+01 -0.224976D+01 -0.353966D+01
      2   0.119831D+01  0.197749D+01  0.310605D+01 -0.344472D+01 -0.112595D+00
      3  -0.269937D+01 -0.224976D+01 -0.344472D+01 -0.315099D+01  0.227064D+01
               101           102           103           104           105 
      1  -0.112595D+00  0.227064D+01  0.208105D+00  0.253995D+01 -0.628117D+00
      2   0.156648D+01 -0.108518D+00  0.253995D+01 -0.252454D+01 -0.158207D+00
      3  -0.108518D+00 -0.127964D+01 -0.628117D+00 -0.158207D+00  0.224261D+01
               106           107           108           109           110 
      1   0.603772D+01 -0.233992D+01 -0.265353D+01  0.565291D+01 -0.125101D+01
      2  -0.233992D+01  0.118155D+01  0.253628D+01 -0.125101D+01  0.534578D+00
      3  -0.265353D+01  0.253628D+01  0.325737D+01 -0.390163D+01  0.293675D+00
               111           112           113           114           115 
      1  -0.390163D+01 -0.384777D+01  0.151427D+01  0.994568D+00 -0.119544D+02
      2   0.293675D+00  0.151427D+01 -0.150539D+01 -0.212656D+01  0.212377D+01
      3   0.236603D+01  0.994568D+00 -0.212656D+01 -0.197926D+01  0.455090D+01
               116           117           118           119           120 
      1   0.212377D+01  0.455090D+01 -0.227246D+00  0.195868D+01  0.117485D+01
      2  -0.334096D+01 -0.157287D+01  0.195868D+01 -0.331885D+01  0.343164D+00
      3  -0.157287D+01 -0.870999D+01  0.117485D+01  0.343164D+00  0.169518D+00
               121           122           123           124           125 
      1   0.150729D+01 -0.360009D+01  0.497514D+00  0.613779D+01 -0.109208D+01
      2  -0.360009D+01  0.393838D+01  0.875558D+00 -0.109208D+01  0.197311D+01
      3   0.497514D+00  0.875558D+00 -0.293213D+00  0.191854D+01 -0.204764D+01
               126           127           128           129           130 
      1   0.191854D+01 -0.206769D+01 -0.115939D+01 -0.164550D+01 -0.159641D+01
      2  -0.204764D+01 -0.115939D+01 -0.993470D+00 -0.107562D+01 -0.930649D+00
      3   0.454235D+01 -0.164550D+01 -0.107562D+01 -0.144287D+01 -0.160946D+01
               131           132           133           134           135 
      1  -0.930649D+00 -0.160946D+01 -0.191626D+01 -0.121934D+01 -0.211745D+01
      2  -0.151024D+01 -0.167826D+01 -0.121934D+01 -0.228682D+01 -0.283886D+01
      3  -0.167826D+01 -0.273307D+01 -0.211745D+01 -0.283886D+01 -0.546366D+01
               136           137           138           139           140 
      1   0.347372D+01 -0.237252D+00 -0.207017D+01 -0.615038D+00  0.233690D+00
      2  -0.237252D+00  0.453272D+00  0.231806D+00  0.233690D+00 -0.472936D+00
      3  -0.207017D+01  0.231806D+00  0.205315D+01  0.574174D+00 -0.520845D+00
               141           142           143           144           145 
      1   0.574174D+00 -0.260342D+01  0.749492D+00  0.279378D+01  0.203975D+01
      2  -0.520845D+00  0.749492D+00 -0.100153D+01 -0.119046D+01  0.129121D+01
      3  -0.158802D+01  0.279378D+01 -0.119046D+01 -0.514314D+01  0.182326D+01
               146           147           148           149           150 
      1   0.129121D+01  0.182326D+01  0.118948D+01  0.824999D+00  0.152057D+01
      2   0.977229D+00  0.113875D+01  0.824999D+00  0.111540D+01  0.156865D+01
      3   0.113875D+01  0.187659D+01  0.152057D+01  0.156865D+01  0.300156D+01
               151           152           153           154           155 
      1   0.178284D+01  0.118908D+01  0.231264D+01 -0.316135D+01  0.314411D+00
      2   0.118908D+01  0.213137D+01  0.281533D+01  0.314411D+00 -0.275493D+00
      3   0.231264D+01  0.281533D+01  0.646494D+01  0.262996D+01 -0.250997D+00
               156           157           158           159           160 
      1   0.262996D+01  0.433308D+00 -0.255535D+00 -0.502871D+00  0.296517D+01
      2  -0.250997D+00 -0.255535D+00  0.314647D+00  0.512963D+00 -0.708610D+00
      3  -0.303580D+01 -0.502871D+00  0.512963D+00  0.169995D+01 -0.339458D+01
               161           162           163           164           165 
      1  -0.708610D+00 -0.339458D+01 -0.245951D+01 -0.866777D-01  0.162952D+01
      2   0.912728D+00  0.116093D+01 -0.866777D-01 -0.694726D+00  0.605624D+00
      3   0.116093D+01  0.670570D+01  0.162952D+01  0.605624D+00 -0.173962D+01
               166           167           168           169           170 
      1   0.194560D+01 -0.701410D+00  0.272660D+00  0.376783D+01  0.805269D+00
      2  -0.701410D+00 -0.920473D+00  0.757734D+00  0.805269D+00  0.120087D+01
      3   0.272660D+00  0.757734D+00 -0.172707D+00 -0.227263D+01 -0.151308D+01
               171           172           173           174           175 
      1  -0.227263D+01 -0.216631D+01 -0.136468D+01 -0.643750D+00 -0.374410D+01
      2  -0.151308D+01 -0.136468D+01 -0.957988D+00  0.210350D-01 -0.298546D+01
      3   0.579826D+01 -0.643750D+00  0.210350D-01 -0.247760D+00 -0.330262D+00
               176           177           178           179           180 
      1  -0.298546D+01 -0.330262D+00 -0.515045D+01 -0.100344D+01 -0.117796D+01
      2  -0.867996D+01 -0.100190D+01 -0.100344D+01 -0.239900D+01 -0.131669D+01
      3  -0.100190D+01 -0.854440D+00 -0.117796D+01 -0.131669D+01 -0.432753D+00
               181           182           183           184           185 
      1   0.229435D+01 -0.775362D+00 -0.127442D+01 -0.173471D+01  0.251260D+00
      2  -0.775362D+00  0.503031D+00 -0.286435D+00  0.251260D+00  0.598795D+00
      3  -0.127442D+01 -0.286435D+00  0.152132D+01 -0.197155D+00 -0.707308D+00
               186           187           188           189           190 
      1  -0.197155D+00 -0.215435D+01 -0.223430D+00  0.104189D+01 -0.141217D+01
      2  -0.707308D+00 -0.223430D+00 -0.105977D+01  0.344718D-01  0.971837D+00
      3   0.128266D+00  0.104189D+01  0.344718D-01 -0.699959D+01  0.141181D+01
               191           192           193           194           195 
      1   0.971837D+00  0.141181D+01  0.472544D+00 -0.542220D+00 -0.230490D-01
      2  -0.921266D+00 -0.322811D+00 -0.542220D+00  0.395528D+00  0.644419D+00
      3  -0.322811D+00 -0.188983D+01 -0.230490D-01  0.644419D+00  0.318136D+00
               196           197           198           199           200 
      1   0.237232D+01 -0.647519D+00 -0.229927D+01 -0.413262D+01  0.327714D+01
      2  -0.647519D+00  0.168416D+01  0.154380D+01  0.327714D+01 -0.302424D+01
      3  -0.229927D+01  0.154380D+01  0.608452D+01 -0.151044D+01  0.105204D+01
               201           202           203           204           205 
      1  -0.151044D+01  0.283020D+01 -0.311786D+01  0.123499D+01 -0.287326D+01
      2   0.105204D+01 -0.311786D+01  0.437089D+01 -0.186696D+01  0.198308D+01
      3  -0.140940D+01  0.123499D+01 -0.186696D+01  0.130864D+01 -0.204728D+01
               206           207           208           209           210 
      1   0.198308D+01 -0.204728D+01  0.801628D+01  0.167689D+01  0.224058D+00
      2  -0.310367D+01  0.186724D+01  0.167689D+01  0.273117D+01  0.158627D+00
      3   0.186724D+01 -0.170793D+01  0.224058D+00  0.158627D+00  0.453119D+00
               211           212           213           214           215 
      1   0.161929D+01  0.156390D+01  0.145459D+00  0.380955D+00  0.310877D-01
      2   0.156390D+01  0.208174D+01 -0.162475D+00  0.310877D-01 -0.355479D+00
      3   0.145459D+00 -0.162475D+00  0.545360D+00  0.122298D+00  0.691627D+00
               216           217           218           219           220 
      1   0.122298D+00 -0.305427D+01 -0.113370D+00  0.183929D+01  0.431907D+00
      2   0.691627D+00 -0.113370D+00 -0.549541D+00  0.377819D+00 -0.100792D+01
      3   0.392814D+00  0.183929D+01  0.377819D+00 -0.193145D+01  0.323295D+00
               221           222           223           224           225 
      1  -0.100792D+01  0.323295D+00  0.464483D+01  0.972654D+00 -0.329982D+01
      2  -0.792089D+00  0.456899D+00  0.972654D+00  0.110730D+01 -0.655249D+00
      3   0.456899D+00 -0.194235D+00 -0.329982D+01 -0.655249D+00  0.520404D+01
               226           227           228           229           230 
      1  -0.929536D-01 -0.806740D+00 -0.393282D+00 -0.253101D+01 -0.263375D+01
      2  -0.806740D+00 -0.411866D+00 -0.520974D-01 -0.263375D+01 -0.780451D+01
      3  -0.393282D+00 -0.520974D-01 -0.401664D+00 -0.759410D+00 -0.249841D+01
               231           232           233           234           235 
      1  -0.759410D+00 -0.121270D+01 -0.632305D+00 -0.132754D+01 -0.646555D+01
      2  -0.249841D+01 -0.632305D+00 -0.259073D+01 -0.172580D+01  0.197552D+01
      3  -0.176932D+01 -0.132754D+01 -0.172580D+01 -0.136221D+01 -0.261273D+01
               236           237           238           239           240 
      1   0.197552D+01 -0.261273D+01  0.544735D+01 -0.211219D+01  0.191210D+01
      2  -0.123985D+01  0.911466D+00 -0.211219D+01  0.162165D+01 -0.146138D+01
      3   0.911466D+00 -0.202390D+01  0.191210D+01 -0.146138D+01  0.155812D+01
               241           242           243           244           245 
      1  -0.460184D+01  0.109594D+01 -0.335331D+01 -0.168858D+00  0.355109D+00
      2   0.109594D+01 -0.157692D+01  0.958795D+00  0.355109D+00  0.740573D+00
      3  -0.335331D+01  0.958795D+00 -0.250287D+01  0.172557D+01  0.353342D+00
               246           247           248           249           250 
      1   0.172557D+01  0.495208D+00  0.130252D+01  0.500961D+00  0.288163D+01
      2   0.353342D+00  0.130252D+01  0.174653D+01  0.120777D+01  0.717214D+00
      3   0.106927D+01  0.500961D+00  0.120777D+01  0.174807D+01  0.171364D+01
               251           252           253           254           255 
      1   0.717214D+00  0.171364D+01 -0.847877D+01 -0.596898D+01  0.105720D+01
      2   0.174153D+01  0.171751D+01 -0.596898D+01  0.171425D+01  0.495348D+00
      3   0.171751D+01  0.518533D+01  0.105720D+01  0.495348D+00  0.894464D+00
               256           257           258           259           260 
      1  -0.174996D+01  0.357065D+01 -0.718514D+00 -0.345439D+01 -0.133364D+01
      2   0.357065D+01 -0.557367D+00 -0.202453D+01 -0.133364D+01 -0.361448D+01
      3  -0.718514D+00 -0.202453D+01  0.286656D+01  0.232051D+01  0.275522D+01
               261           262           263           264           265 
      1   0.232051D+01  0.405261D+01 -0.336575D+01  0.111668D+01 -0.424942D+01
      2   0.275522D+01 -0.336575D+01  0.338568D+01 -0.766359D+00  0.486088D+01
      3   0.265386D+01  0.111668D+01 -0.766359D+00  0.962215D+00 -0.108179D+01
               266           267           268           269           270 
      1   0.486088D+01 -0.108179D+01 -0.994258D+00  0.101373D+01  0.480973D+00
      2  -0.671476D+01  0.134655D+01  0.101373D+01 -0.111309D+01 -0.502592D+00
      3   0.134655D+01 -0.144435D+01  0.480973D+00 -0.502592D+00  0.519442D+00
               271           272           273           274           275 
      1  -0.140690D+01  0.208504D+01  0.858468D-01  0.188818D+01 -0.152487D+01
      2   0.208504D+01 -0.355064D+01  0.289788D+00 -0.152487D+01  0.655126D+01
      3   0.858468D-01  0.289788D+00 -0.763155D+00 -0.536649D-01 -0.127018D-01
               276           277           278           279           280 
      1  -0.536649D-01  0.845750D+00  0.454926D-02 -0.478525D+00  0.361984D+00
      2  -0.127018D-01  0.454926D-02  0.156706D+01  0.492686D+00  0.204862D+00
      3   0.635998D+00 -0.478525D+00  0.492686D+00  0.869848D-03 -0.797022D+00
               281           282           283           284           285 
      1   0.204862D+00 -0.797022D+00 -0.724924D+00 -0.541893D+00  0.106600D+00
      2  -0.510800D+00  0.900110D-01 -0.541893D+00 -0.775375D+00 -0.263864D+00
      3   0.900110D-01 -0.787505D+00  0.106600D+00 -0.263864D+00 -0.128146D+01
               286           287           288           289           290 
      1  -0.161780D+01 -0.326730D+00  0.445766D-01  0.126259D+02  0.536806D+01
      2  -0.326730D+00 -0.139168D+01  0.865391D-01  0.536806D+01  0.349985D+01
      3   0.445766D-01  0.865391D-01 -0.617691D+01 -0.167537D+01 -0.102754D+01
               291           292           293           294           295 
      1  -0.167537D+01  0.340712D+01  0.259460D+01 -0.458622D+00  0.667934D-01
      2  -0.102754D+01  0.259460D+01  0.251714D+01 -0.314416D+00  0.548796D-01
      3   0.129648D+01 -0.458622D+00 -0.314416D+00  0.164437D+00  0.105218D+01
               296           297 
      1   0.548796D-01  0.105218D+01
      2   0.429549D+00  0.372436D+00
      3   0.372436D+00 -0.513879D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.237809D+01  0.525019D+00 -0.259780D+01  0.610919D+01  0.872457D+00
      2  -0.162966D+02  0.179328D+01  0.853604D+01  0.439980D+01 -0.639099D+00
      3  -0.228931D+01 -0.349018D+01 -0.398462D+01  0.132132D+02  0.294698D-01
                 6             7             8             9            10 
      1  -0.278739D+01 -0.536415D+01  0.199721D+01  0.872264D+00 -0.586615D+01
      2  -0.449784D+00  0.559887D+01 -0.137899D+01 -0.514348D+01  0.206653D+02
      3  -0.374325D+01 -0.309780D+01  0.101786D+01  0.494403D+01  0.179362D+01
                11            12            13            14            15 
      1   0.493680D+00  0.186304D+01  0.797400D+00 -0.472135D+01 -0.778532D+01
      2   0.180502D+01 -0.338485D+01 -0.867214D+00  0.150828D+01 -0.233836D+01
      3   0.161804D+01  0.106306D+01  0.128295D+02 -0.718488D+00 -0.888691D+00
                16            17            18            19            20 
      1   0.931915D+01  0.602486D+00  0.391322D+01 -0.108060D+01 -0.613452D+00
      2  -0.250356D+02 -0.203852D+01  0.329883D+01  0.112748D+02  0.310462D+01
      3   0.726235D+01 -0.149862D+01 -0.375060D+01 -0.605638D+01 -0.154144D+01
                21            22            23            24            25 
      1   0.474216D+00 -0.769652D+01 -0.413126D+01 -0.193253D+01  0.112904D+01
      2   0.517618D+01  0.975445D+01  0.426163D+01  0.154903D+01  0.464266D+01
      3  -0.611028D+00  0.108420D+02  0.275733D+01  0.254577D+01 -0.692913D+01
                26            27            28            29            30 
      1   0.227346D+01 -0.189872D+01  0.242752D+01  0.271879D+01  0.435360D+01
      2   0.191425D+01  0.213313D+01 -0.170418D+02 -0.433054D+01 -0.142155D+01
      3  -0.448394D+00 -0.202889D+01 -0.172218D+01 -0.112778D+00  0.172328D+01
                31            32            33            34            35 
      1   0.719208D+01 -0.151305D+01 -0.836556D+01  0.660348D+01  0.589377D+00
      2  -0.868677D+01 -0.587492D+01 -0.187614D+01 -0.266059D+02 -0.240036D+01
      3   0.104125D+02  0.479698D+01 -0.583305D-01  0.397475D+01  0.317884D+01
                36            37            38            39            40 
      1   0.369122D+01 -0.352796D+01 -0.362080D+00 -0.122500D+01  0.441330D+01
      2   0.272354D+01  0.609308D+01  0.497337D+01  0.490539D+01  0.520464D+01
      3  -0.322932D+01 -0.188576D+01 -0.259055D+01 -0.325025D+01  0.953592D+01
                41            42            43            44            45 
      1   0.420903D+01 -0.739717D+00 -0.482463D+00  0.212376D+01  0.237065D+00
      2   0.618110D+00 -0.346050D+00 -0.130998D+02 -0.324209D+01 -0.344808D+00
      3  -0.939954D+00 -0.409587D+01  0.228409D+01 -0.159523D+01  0.342430D+01
                46            47            48            49            50 
      1   0.489101D+01 -0.191772D+01 -0.964072D+00 -0.706503D+01 -0.132980D+01
      2  -0.837610D+01 -0.199329D+01  0.433458D+01 -0.494937D+01  0.763403D+00
      3  -0.427347D+01 -0.150128D+01 -0.581195D+00  0.972784D+01  0.263172D+01
                51            52            53            54            55 
      1  -0.205356D+01  0.454004D+01  0.327610D+01 -0.409007D+00  0.518217D+01
      2   0.318006D+01 -0.101445D+02 -0.116836D+01  0.349113D-01 -0.106052D+02
      3   0.361314D+01 -0.681803D+01  0.473271D+00 -0.176491D+01 -0.124160D+02
                56            57            58            59            60 
      1  -0.142043D+01  0.116100D+01 -0.375382D+01  0.660577D+01 -0.132717D+01
      2   0.142781D+01 -0.260997D+01  0.480000D+01 -0.101250D+02 -0.610409D+00
      3   0.251820D+01 -0.268041D+01  0.272463D+02  0.155085D+02  0.737138D+01
                61            62            63            64            65 
      1   0.512344D+01  0.376440D+01 -0.572850D+01 -0.527189D+01  0.628446D+00
      2  -0.271364D+02 -0.344590D+01  0.168856D+02  0.462933D+01 -0.383872D+01
      3  -0.952072D+01  0.921754D+01 -0.206203D+01  0.250352D+02 -0.800854D+01
                66            67            68            69            70 
      1  -0.284711D+00  0.840273D+00  0.101317D+01 -0.181106D+01 -0.443506D+01
      2   0.173584D+02 -0.115323D+02  0.936233D+01  0.334080D+00  0.204456D+02
      3   0.584970D+01 -0.894414D+01 -0.167947D+02 -0.825069D+01  0.120040D+02
                71            72            73            74            75 
      1   0.499714D+01 -0.559174D+00 -0.161582D+00  0.296247D+01 -0.567686D+01
      2  -0.663628D+00 -0.305275D+02 -0.165105D+01  0.717264D+01 -0.975906D+01
      3  -0.102371D+02  0.267803D+01 -0.293307D+02 -0.862124D+01 -0.527216D+01
                76            77            78            79            80 
      1   0.388351D+01 -0.708243D+01  0.505319D+00 -0.804206D+01  0.645675D+01
      2   0.926975D+01 -0.995873D+01  0.466130D+01 -0.187499D+02  0.740070D+01
      3  -0.260582D+01  0.821853D+01  0.703955D+01 -0.648953D+01  0.104605D+02
                81            82            83            84            85 
      1   0.813435D+01  0.236749D+01 -0.129514D+01  0.343819D+01 -0.256157D+01
      2   0.174412D+02 -0.246694D+01  0.723987D+01 -0.180923D+02  0.969834D+01
      3  -0.189529D+01 -0.209122D+02  0.508479D+01 -0.957195D+01  0.228545D+02
                86            87            88            89            90 
      1  -0.152538D+00 -0.344096D+01  0.537615D+01  0.187346D+00 -0.179898D+01
      2  -0.193442D+02 -0.114710D+01 -0.342291D+02 -0.364297D+01  0.198585D+02
      3   0.284517D+02  0.218215D+02 -0.106614D+02  0.205923D+02 -0.216175D+01
                91            92            93            94            95 
      1  -0.207821D+01 -0.546232D+00  0.221936D+01  0.133592D+01 -0.678277D+00
      2   0.155117D+01  0.194074D+01  0.566744D+00  0.241326D+01  0.594965D+01
      3  -0.133259D+02  0.255846D+01 -0.133401D+01  0.358390D+02 -0.235999D+01
                96            97            98            99           100 
      1  -0.824714D+00  0.572814D+01  0.794057D+01  0.273381D+01  0.282054D+01
      2  -0.989936D+01 -0.162585D+02 -0.122245D+02 -0.111584D+02  0.172067D+01
      3  -0.424833D+01 -0.257568D+01 -0.738870D+01  0.899994D+01  0.257879D+02
               101           102           103           104           105 
      1   0.321137D+01 -0.647157D+01 -0.113935D+01  0.112852D+01 -0.364048D+01
      2  -0.788018D+00 -0.685229D+00 -0.859627D+00 -0.185150D+01  0.167882D+02
      3  -0.107711D+02  0.205417D+01 -0.123150D+01 -0.370911D+01 -0.102814D+01
               106           107           108           109           110 
      1  -0.390740D+01 -0.606787D+01  0.175326D+01 -0.222677D+01 -0.342490D+01
      2  -0.911952D+01  0.101407D+02  0.173790D+02 -0.103290D+02  0.905003D+00
      3   0.120826D+02 -0.836721D+01 -0.895412D+01 -0.257027D+01 -0.470485D+01
               111           112           113           114           115 
      1   0.315541D+01 -0.100713D+01  0.113302D+01 -0.314051D+01  0.458002D+00
      2   0.113120D+02 -0.476038D+00 -0.791166D+01 -0.106705D+02  0.744202D+01
      3  -0.521035D+00 -0.645196D+01  0.942119D+01  0.887224D+01 -0.129229D+02
               116           117           118           119           120 
      1   0.842400D+01 -0.624586D+01  0.282271D+01 -0.108506D+01  0.774366D+00
      2  -0.491617D+01 -0.367420D+02  0.515975D+01 -0.265087D+00  0.262442D+01
      3   0.149274D+02  0.741971D+01 -0.986224D+01  0.926264D+01 -0.284790D+01
               121           122           123           124           125 
      1  -0.141132D+01  0.259757D+01 -0.193756D+01 -0.325839D+01  0.733436D+01
      2   0.305980D+01  0.614395D+01 -0.281304D+01  0.557221D+00 -0.541190D+01
      3   0.114075D+02 -0.111897D+02 -0.360509D+01  0.401674D+01 -0.799195D+01
               126           127           128           129           130 
      1   0.480340D+01 -0.477999D+00  0.130951D+01 -0.428004D+00 -0.938921D+00
      2   0.181669D+02 -0.409308D+01 -0.632283D+00 -0.542614D+00 -0.191445D+01
      3   0.658924D+01  0.242944D+01 -0.182798D+00  0.657938D+00  0.303073D+01
               131           132           133           134           135 
      1   0.344138D+00 -0.314064D+01 -0.949658D+00  0.221018D+01 -0.251406D+01
      2   0.184437D+00  0.425859D+00 -0.309083D+01  0.476591D+00  0.212217D+01
      3  -0.100061D+01  0.210543D+00  0.194169D+01 -0.163023D+01 -0.384486D+00
               136           137           138           139           140 
      1  -0.125933D+01 -0.183488D+01  0.182599D+01 -0.224651D+00  0.137604D+00
      2   0.638002D+01 -0.298404D+00 -0.998741D+00  0.812489D+00  0.142892D+00
      3  -0.284337D+01 -0.883824D+00  0.133945D+01  0.408774D+00  0.690358D+00
               141           142           143           144           145 
      1  -0.163015D+01  0.699285D+00  0.292905D+01 -0.110506D+01  0.143511D+01
      2  -0.853762D+00 -0.473333D+01  0.224812D+00 -0.127037D+01 -0.455998D+01
      3  -0.241921D+00  0.172031D+01  0.157105D+01 -0.999253D+00  0.759789D+00
               146           147           148           149           150 
      1   0.242537D+01  0.577390D+00  0.183175D+00  0.132463D+01 -0.140071D+01
      2  -0.156850D+01 -0.110304D+01 -0.281318D+01 -0.593925D+00 -0.452090D+00
      3  -0.660477D+00  0.843425D-01  0.175340D+01 -0.654542D+00 -0.168216D+00
               151           152           153           154           155 
      1   0.674589D+00  0.430926D+01  0.335281D+00  0.148370D+00 -0.204977D+01
      2  -0.381059D+01 -0.537309D+00  0.605965D+00  0.613112D+01 -0.498083D+00
      3   0.693687D+00 -0.213727D+01 -0.916144D+00 -0.109560D+01 -0.120613D+01
               156           157           158           159           160 
      1   0.619183D+00  0.294293D+00  0.623588D+00 -0.966999D+00 -0.135635D+01
      2  -0.969058D+00  0.326581D+00 -0.123043D-01 -0.104267D+01 -0.510489D+01
      3   0.564052D+00  0.143858D+01  0.400962D+00  0.124003D+00 -0.183626D-01
               161           162           163           164           165 
      1   0.380815D+01  0.126866D+01  0.175260D+01 -0.310524D+00 -0.192208D+01
      2   0.419402D+00 -0.990559D+00 -0.452977D+01 -0.200096D+01  0.653984D+01
      3   0.186186D+01 -0.486097D+00  0.276221D+01 -0.311571D+01  0.268491D-01
               166           167           168           169           170 
      1   0.812373D+00  0.251235D+00 -0.979266D+00 -0.202385D+01  0.151251D+01
      2  -0.221039D+01 -0.152524D+01  0.155055D+00  0.147987D+01  0.409549D+01
      3  -0.137192D+01 -0.210145D+01  0.162712D+01 -0.153105D+01  0.365633D+01
               171           172           173           174           175 
      1   0.705920D+01 -0.118890D+01 -0.302908D+00 -0.921299D+00 -0.140702D+01
      2  -0.181248D+02  0.423628D+01  0.756356D+00  0.243378D+01  0.293061D+01
      3  -0.118203D+01 -0.162066D+01 -0.266737D+01  0.409961D+00 -0.248949D+01
               176           177           178           179           180 
      1  -0.474378D+01 -0.401751D+01 -0.199360D+01 -0.187031D+01 -0.133427D+01
      2   0.642134D+01  0.344355D+01  0.455155D+01  0.478514D+01  0.107143D+01
      3  -0.238710D+02 -0.218833D+01  0.168215D+01 -0.698724D+01 -0.239455D+01
               181           182           183           184           185 
      1   0.188473D+01 -0.123481D+01  0.111285D+00 -0.408968D+00 -0.646810D+00
      2   0.105202D+02  0.357166D+00 -0.707705D+01 -0.536772D+00  0.326831D+01
      3  -0.339587D+01  0.133758D+01 -0.724200D+00  0.339022D+01  0.232692D+01
               186           187           188           189           190 
      1  -0.605929D+00 -0.330224D+00  0.307088D+01  0.369828D+00 -0.282089D+01
      2  -0.303019D+00 -0.107938D+02 -0.833775D-01  0.295162D+02 -0.514205D+01
      3  -0.265489D+01 -0.784876D+00 -0.348909D+01  0.188779D+00  0.252616D+01
               191           192           193           194           195 
      1  -0.248079D+00  0.378884D+01  0.118854D+00 -0.110514D+01 -0.169711D+01
      2   0.124543D+01  0.801942D+01 -0.664673D-02 -0.218295D+01 -0.812492D+00
      3  -0.341655D+01  0.584434D+00 -0.943391D-01  0.551227D+00  0.212725D+01
               196           197           198           199           200 
      1   0.417614D+01  0.458110D+00 -0.120094D+02  0.279740D+01 -0.152568D+01
      2   0.509914D+01 -0.578938D+01 -0.244878D+02  0.613599D+01 -0.457687D+01
      3   0.160442D+01  0.705538D+01  0.321432D+01  0.641479D+01 -0.931472D+01
               201           202           203           204           205 
      1   0.416667D+01 -0.317155D+01  0.296246D+01 -0.421395D+01  0.405919D+01
      2   0.743797D+01 -0.486077D+01  0.789055D+01 -0.656770D+01  0.727670D+01
      3   0.184705D+01 -0.464641D+01  0.138662D+02 -0.514678D+01  0.281390D+01
               206           207           208           209           210 
      1  -0.170136D+01  0.384747D+01 -0.194296D+01 -0.226179D+00 -0.209494D+01
      2  -0.772967D+01  0.735228D+01 -0.266907D+01 -0.933348D+00 -0.770899D+00
      3  -0.105352D+02  0.455841D+01  0.266439D+02  0.123898D+02  0.147682D+01
               211           212           213           214           215 
      1  -0.848840D+00  0.508531D+00 -0.179973D+01 -0.186026D+01  0.230343D+00
      2  -0.107183D+01  0.442056D+00 -0.934424D+00 -0.367389D+01 -0.211210D+01
      3   0.123596D+02  0.969729D+01 -0.269315D+00  0.174110D+01 -0.127749D+01
               216           217           218           219           220 
      1  -0.109138D+01  0.140403D+01 -0.782856D-01 -0.183173D+01  0.653601D+00
      2  -0.154122D+01 -0.115531D+02 -0.224110D+01  0.130792D+02 -0.176630D+01
      3   0.308935D+01  0.141776D+01 -0.412216D+01  0.735521D+00 -0.408184D+01
               221           222           223           224           225 
      1   0.509811D+00 -0.116292D+01 -0.228606D+01  0.160674D+01  0.406257D+01
      2  -0.272667D+01  0.139731D+01  0.170995D+02  0.376144D+01 -0.318539D+02
      3  -0.352446D+01  0.191910D+01  0.179805D+01  0.645160D+01 -0.898983D+00
               226           227           228           229           230 
      1   0.454333D+00  0.275181D+00 -0.325509D+00  0.761552D+00  0.354836D+01
      2   0.249142D+01 -0.212469D+00  0.241261D+01  0.187604D+01  0.128955D+02
      3  -0.481015D+01 -0.262695D+01 -0.141763D+00 -0.865330D+01 -0.409741D+02
               231           232           233           234           235 
      1  -0.240608D+01 -0.551210D+00  0.146220D+01 -0.608173D+00 -0.292179D+01
      2   0.100573D+02  0.493162D+01  0.909711D+01  0.651018D+01  0.100764D+02
      3  -0.130721D+02 -0.194533D+01 -0.141660D+02 -0.812253D+01  0.143710D+02
               236           237           238           239           240 
      1   0.216012D+01 -0.132286D+01  0.224842D+01 -0.273462D+01  0.726471D+00
      2  -0.391135D+01  0.121829D+02 -0.716654D+01  0.715858D+01 -0.862159D+01
      3  -0.105816D+02  0.680297D+01 -0.130166D+02  0.112760D+02 -0.926862D+01
               241           242           243           244           245 
      1  -0.229438D+01  0.324432D+01 -0.148270D+01 -0.185856D+01 -0.918237D-01
      2   0.145249D+02 -0.476941D+01  0.125877D+02  0.602491D+01  0.144496D+01
      3   0.839214D+01 -0.107303D+02  0.734184D+01 -0.121750D+01 -0.276716D+01
               246           247           248           249           250 
      1  -0.119505D+01 -0.624085D+00 -0.158379D+00 -0.246450D+01 -0.121579D+01
      2   0.338443D+01  0.146526D+01  0.314077D+01  0.568044D+01  0.543213D+00
      3   0.171819D+00 -0.205031D+01 -0.409955D+01 -0.303058D+01  0.132627D+00
               251           252           253           254           255 
      1   0.128066D+01 -0.519850D+01  0.324516D+01 -0.347855D+01 -0.428414D+01
      2   0.507693D+01  0.161584D+02 -0.555491D+01 -0.458234D+01  0.709923D+01
      3  -0.440428D+01 -0.408169D+01  0.241016D+01 -0.199118D+02  0.350815D-02
               256           257           258           259           260 
      1  -0.605865D+00  0.718264D+01 -0.678590D+01 -0.433908D+01 -0.116319D+01
      2  -0.710579D+01 -0.577503D+01  0.100730D+02  0.804295D+01  0.105913D+02
      3  -0.168685D+02  0.734861D+01  0.666714D+01  0.171211D+01  0.104796D+02
               261           262           263           264           265 
      1  -0.111543D+02 -0.223857D+01  0.265266D+01  0.117302D+01  0.373788D+01
      2   0.115367D+02  0.943673D+00 -0.421982D+00  0.375867D+01 -0.598427D+00
      3  -0.642910D+01  0.873208D+01 -0.113038D+02  0.302178D+01 -0.140214D+02
               266           267           268           269           270 
      1  -0.519218D+01 -0.157669D+01  0.338775D+00 -0.278280D+00 -0.943267D+00
      2   0.136188D+01 -0.571218D+01  0.132769D+01 -0.193157D+01  0.995318D+00
      3   0.244666D+02 -0.457420D+01 -0.320258D+01  0.427608D+01  0.163255D+01
               271           272           273           274           275 
      1  -0.257934D+01  0.261024D+01  0.319422D+01  0.190831D+01 -0.604077D+01
      2  -0.161422D+01  0.254338D+01 -0.138310D+01  0.186231D+01 -0.217296D+01
      3  -0.119456D+02  0.138982D+02  0.889073D-02  0.111818D+02 -0.231540D+02
               276           277           278           279           280 
      1  -0.330197D+01  0.210134D+01 -0.102861D+01 -0.947864D+00  0.254073D+01
      2   0.951072D+00 -0.220913D+01  0.948130D+00 -0.465398D+00 -0.408578D+01
      3  -0.398180D+00  0.228223D+01 -0.461015D+01 -0.269862D+01 -0.483676D+00
               281           282           283           284           285 
      1   0.130202D+01  0.195394D+01  0.125179D+01  0.353821D+01  0.267616D+01
      2  -0.398595D+00 -0.310618D+01 -0.231447D+01 -0.180075D+01 -0.454516D+01
      3   0.140920D+01 -0.134948D+01  0.178444D+01  0.158731D+01  0.824004D+00
               286           287           288           289           290 
      1   0.112519D+01  0.467290D+01  0.141813D+02 -0.105052D+01 -0.122838D+01
      2  -0.413416D+01 -0.669577D+00 -0.200109D+02  0.434077D+01  0.315856D+00
      3  -0.163372D+01  0.342616D+01 -0.480141D+00  0.635118D+01 -0.475453D+01
               291           292           293           294           295 
      1  -0.330409D+01 -0.148347D+01 -0.179396D+01 -0.114056D+01 -0.214016D+01
      2   0.591113D+01  0.186357D+01  0.981336D+00  0.129957D+01  0.231200D+01
      3   0.907516D+00 -0.673905D+00 -0.431559D+01 -0.189270D-01 -0.780312D-02
               296           297 
      1   0.127877D+00  0.130329D+01
      2   0.604019D+00 -0.152891D+01
      3  -0.115139D+01  0.840064D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.578263D+01 -0.378668D+01 -0.180748D+02  0.114127D+02 -0.119573D+02
      2   0.634228D+00 -0.528287D+00  0.297788D+01 -0.946513D+00  0.188531D+02
      3   0.514841D+01  0.431497D+01  0.150970D+02 -0.104662D+02 -0.689581D+01
      4  -0.681257D+01 -0.280138D+01 -0.791494D+01  0.175162D+01 -0.703922D+00
      5  -0.174132D+02 -0.694128D+01  0.822296D-01 -0.775946D+01 -0.187137D+01
      6  -0.968526D+01 -0.958365D+00 -0.457297D+00 -0.306451D+01  0.737258D+00
                 6             7             8             9            10 
      1  -0.406186D+01  0.294784D+02  0.120800D+02  0.147851D+02  0.589643D+02
      2   0.831408D+01 -0.775140D+01 -0.240620D+01 -0.613529D+01 -0.224176D+02
      3  -0.425222D+01 -0.217270D+02 -0.967385D+01 -0.864983D+01 -0.365467D+02
      4  -0.109743D+01  0.574351D+01  0.140705D+01 -0.423588D+01  0.721655D+01
      5  -0.705234D+01  0.133544D+02 -0.382480D+01 -0.486198D+01  0.862824D+01
      6   0.128930D+01 -0.588596D+01 -0.460387D+01 -0.114699D+02  0.118778D+01
                11            12            13            14            15 
      1   0.558969D+01  0.427341D+01  0.216060D+01 -0.218709D+01 -0.679149D+01
      2  -0.101099D+01  0.300810D+01  0.386932D+01  0.806349D+01  0.255450D+01
      3  -0.457869D+01 -0.728151D+01 -0.602993D+01 -0.587640D+01  0.423699D+01
      4   0.136966D+01  0.386914D+01  0.156719D+02  0.435465D+01  0.118077D+00
      5   0.500893D+01  0.721126D+01 -0.831379D+01  0.658481D+00  0.200618D+01
      6   0.112472D+01  0.214915D+01 -0.769371D+01 -0.518761D+01  0.873282D+01
                16            17            18            19            20 
      1   0.941047D+01 -0.714455D+01 -0.166106D+02  0.438997D+01  0.109148D+02
      2  -0.488126D+01 -0.373130D+01  0.119301D+01  0.420475D+01 -0.828100D+01
      3  -0.452921D+01  0.108759D+02  0.154176D+02 -0.859472D+01 -0.263383D+01
      4  -0.115924D+02  0.104148D+00 -0.100837D+01  0.216581D+01  0.513986D+01
      5  -0.121451D+02 -0.208343D+00 -0.223625D+01  0.178979D+02  0.288559D+01
      6  -0.282322D+01  0.221406D+01  0.536820D+01  0.696775D+01 -0.156358D+01
                21            22            23            24            25 
      1   0.192720D+02 -0.101833D+02 -0.267631D+01  0.157971D+02 -0.226489D+02
      2  -0.886756D+01 -0.216405D+01  0.509608D+01 -0.262648D+00  0.402021D+01
      3  -0.104045D+02  0.123473D+02 -0.241977D+01 -0.155345D+02  0.186287D+02
      4   0.400931D+01  0.696154D+01 -0.701040D+01 -0.761407D+00 -0.238000D+01
      5  -0.529900D+01  0.990285D+01  0.126405D+01  0.382403D+00  0.992142D+01
      6  -0.513629D+01  0.403410D+01 -0.349022D+00  0.387760D+01  0.133443D+02
                26            27            28            29            30 
      1   0.345234D+01  0.611287D+01  0.174467D+02  0.239522D+01 -0.420281D+01
      2  -0.622712D+00  0.138443D+01 -0.255828D+01  0.658889D+00 -0.937540D+00
      3  -0.282963D+01 -0.749729D+01 -0.148884D+02 -0.305411D+01  0.514035D+01
      4  -0.440691D+00  0.752866D+01  0.644680D+01  0.415335D+01  0.839356D+00
      5   0.670738D+01  0.631177D+01 -0.353975D+01  0.706720D+00  0.825082D+01
      6   0.584850D+01 -0.745507D+01 -0.840474D+01  0.124311D+01  0.337179D+01
                31            32            33            34            35 
      1  -0.689694D+01 -0.977987D+00 -0.810057D+01  0.335741D+01 -0.547089D+01
      2   0.690861D+01  0.553566D+01  0.346444D+00 -0.647075D+01 -0.637483D+01
      3  -0.116694D-01 -0.455767D+01  0.775412D+01  0.311333D+01  0.118457D+02
      4   0.190363D+02  0.800290D+00 -0.313836D+01 -0.115671D+02 -0.763197D+01
      5  -0.143640D+02 -0.278261D+01  0.290347D+01 -0.129978D+02  0.780850D-01
      6  -0.254117D+01 -0.374729D+01  0.789300D+01 -0.650951D+01  0.161678D+01
                36            37            38            39            40 
      1  -0.203085D+02  0.808034D+01 -0.152046D+01 -0.223591D+02  0.393782D+01
      2   0.447187D+01 -0.810082D+01 -0.174039D+01  0.223229D+01  0.511265D+01
      3   0.158367D+02  0.204811D-01  0.326085D+01  0.201268D+02 -0.905047D+01
      4   0.706459D+00 -0.818191D+01 -0.519412D+01 -0.861705D+01  0.103929D+02
      5   0.155854D+01 -0.579286D+01 -0.597849D+01 -0.520212D+01 -0.478996D+01
      6   0.634433D+01 -0.513878D+01  0.371296D+00 -0.526050D+01 -0.291871D+01
                41            42            43            44            45 
      1  -0.102414D+02  0.587318D+00  0.241554D+02  0.900323D+01  0.887647D+01
      2   0.140415D+02  0.761734D+01 -0.184860D+01  0.246787D+01 -0.547659D+01
      3  -0.380012D+01 -0.820466D+01 -0.223068D+02 -0.114711D+02 -0.339989D+01
      4   0.678026D+00 -0.153701D+01 -0.111050D+01  0.523573D+01 -0.491159D+01
      5  -0.100002D+01 -0.114211D+02  0.598604D+01 -0.578361D+01 -0.398987D+01
      6   0.372009D+01  0.512213D+01 -0.897177D+01 -0.413836D+01 -0.130693D+02
                46            47            48            49            50 
      1  -0.392696D+01  0.709639D+01  0.185900D+02 -0.250537D+02 -0.495463D+01
      2   0.821861D+01 -0.329421D+01 -0.763603D+01  0.805089D+01  0.356108D+01
      3  -0.429166D+01 -0.380218D+01 -0.109540D+02  0.170028D+02  0.139355D+01
      4  -0.201001D+01  0.749043D+01  0.318219D+01  0.979894D+01 -0.383184D+01
      5   0.934246D+01  0.179120D+00 -0.101791D+02  0.297419D+01 -0.282596D+01
      6   0.292350D+01 -0.411126D+01 -0.672876D+01  0.573435D+00 -0.156540D+01
                51            52            53            54            55 
      1   0.197286D+02 -0.317149D+02  0.284462D+01 -0.125406D+01 -0.584917D+02
      2   0.120830D+01  0.437667D+01  0.722845D+00  0.424530D+01  0.243380D+02
      3  -0.209369D+02  0.273382D+02 -0.356747D+01 -0.299125D+01  0.341537D+02
      4  -0.762066D+00 -0.587286D+01 -0.165338D+01  0.554512D+01  0.653182D+01
      5   0.231849D+01 -0.845396D+00  0.529152D+01  0.864901D+01 -0.892076D+01
      6   0.991175D+01  0.993502D+01  0.661942D+01 -0.101855D+02 -0.181499D+01
                56            57            58            59            60 
      1   0.861810D+01 -0.639340D+01  0.471431D+02 -0.173520D+01  0.129649D+02
      2  -0.548515D+01  0.191969D+00 -0.341910D+02 -0.170304D+02 -0.110694D+02
      3  -0.313295D+01  0.620143D+01 -0.129520D+02  0.187656D+02 -0.189549D+01
      4  -0.101384D+02  0.465801D+01 -0.284270D+02 -0.396678D+02 -0.111700D+02
      5   0.417411D+01 -0.151130D+02  0.124298D+02 -0.113788D+02 -0.923480D+00
      6   0.107873D+01 -0.360368D+01 -0.129697D+00 -0.628124D+01 -0.112214D+01
                61            62            63            64            65 
      1  -0.386738D+02  0.989438D+01 -0.148809D+02 -0.802181D+01 -0.374224D+02
      2   0.993009D+01 -0.116481D+02  0.127036D+02  0.972824D+01  0.186401D+02
      3   0.287437D+02  0.175371D+01  0.217728D+01 -0.170643D+01  0.187823D+02
      4   0.727060D+01 -0.176248D+02 -0.787568D+01 -0.414584D+02  0.666737D+01
      5  -0.335286D+02 -0.744639D+01  0.344917D+02 -0.443533D+01 -0.116126D+02
      6  -0.660444D+01 -0.367655D+01  0.880540D+01 -0.324672D+01 -0.243830D+01
                66            67            68            69            70 
      1  -0.943936D+01 -0.852169D+02  0.121298D+02 -0.147170D+02  0.152883D+02
      2   0.422678D+00  0.449889D+02 -0.664668D+01  0.651402D+01 -0.732352D+01
      3   0.901668D+01  0.402280D+02 -0.548308D+01  0.820301D+01 -0.796481D+01
      4  -0.104410D+02  0.149707D+02  0.367443D+02  0.160145D+02 -0.131026D+02
      5   0.238568D+02 -0.233307D+02  0.170789D+02 -0.193180D+01  0.449599D+02
      6  -0.158544D+01  0.274314D+01 -0.513933D+00  0.283837D+00 -0.129259D+00
                71            72            73            74            75 
      1  -0.925496D+01  0.456377D+02  0.366387D+02  0.361204D+02 -0.255059D+01
      2   0.280839D+01 -0.127633D+02 -0.301505D+02 -0.158382D+02 -0.394445D+01
      3   0.644657D+01 -0.328744D+02 -0.648817D+01 -0.202822D+02  0.649505D+01
      4   0.190096D+02 -0.104656D+01  0.318616D+02 -0.196484D+02  0.125820D+02
      5  -0.230991D+00 -0.458623D+02 -0.470439D+01  0.127730D+02 -0.239024D+02
      6   0.484347D+01  0.415980D+00  0.733853D+01 -0.428020D+01  0.115076D+02
                76            77            78            79            80 
      1   0.431664D+02 -0.169246D+02  0.655275D+01 -0.717067D+01  0.877714D+01
      2  -0.189759D+02  0.115378D+02  0.343567D+01 -0.545553D+01  0.360667D+01
      3  -0.241904D+02  0.538676D+01 -0.998842D+01  0.126262D+02 -0.123838D+02
      4  -0.244090D+02 -0.111812D+02 -0.237741D+02  0.160209D+02 -0.322129D+02
      5   0.156169D+02 -0.224873D+02  0.885695D+01 -0.356121D+02  0.154413D+02
      6  -0.820941D+01  0.121139D+02 -0.352163D+01  0.135592D+02 -0.766822D+01
                81            82            83            84            85 
      1  -0.267056D+02  0.226259D+02  0.433170D+02  0.939850D+00  0.655322D+02
      2   0.158751D+02 -0.592581D+01 -0.246559D+02  0.284457D+01 -0.387236D+02
      3   0.108305D+02 -0.167001D+02 -0.186610D+02 -0.378442D+01 -0.268086D+02
      4   0.222579D+02  0.469678D+02 -0.608245D+01  0.191221D+02 -0.227834D+02
      5   0.371860D+02 -0.311876D+01  0.210783D+02 -0.397422D+02  0.287542D+02
      6  -0.115770D+02  0.606383D+01 -0.991863D+00 -0.631437D+00 -0.563761D+01
                86            87            88            89            90 
      1  -0.924291D+01  0.279506D+02 -0.717236D+01  0.237842D+02 -0.553275D+02
      2  -0.284291D+00 -0.195462D+02  0.671212D+01 -0.169309D+02  0.278247D+02
      3   0.952720D+01 -0.840448D+01  0.460239D+00 -0.685333D+01  0.275028D+02
      4  -0.501885D+02 -0.360819D+02  0.216302D+02 -0.337672D+02 -0.365799D+01
      5  -0.389216D+02  0.353960D+01 -0.618478D+02 -0.204309D+01  0.327122D+02
      6  -0.124555D+02 -0.746625D+01 -0.224013D+01 -0.752709D+01  0.513917D+01
                91            92            93            94            95 
      1   0.211333D+01  0.169137D+02 -0.754261D+01  0.341348D+02 -0.157137D+02
      2  -0.121075D+01 -0.121209D+02  0.494563D+01 -0.205007D+02  0.498524D+01
      3  -0.902587D+00 -0.479274D+01  0.259699D+01 -0.136342D+02  0.107284D+02
      4   0.134850D+02 -0.111229D+02  0.128170D+01 -0.446896D+02 -0.168613D+01
      5  -0.613048D+01  0.131205D+01 -0.623833D+01  0.869492D+01  0.569591D+01
      6   0.987894D+00  0.115029D+01 -0.565703D+01  0.579295D+01  0.740248D+01
                96            97            98            99           100 
      1  -0.157414D+01 -0.134452D+01 -0.358017D+01  0.229118D+01 -0.877080D+01
      2   0.350667D+01  0.804874D+01  0.107056D+02 -0.285836D+01  0.722718D+01
      3  -0.193252D+01 -0.670422D+01 -0.712539D+01  0.567180D+00  0.154362D+01
      4   0.593000D+01  0.103370D+02  0.162761D+02 -0.242795D+02  0.417940D+01
      5  -0.187371D+02 -0.128655D+02 -0.232053D+02 -0.235040D+02  0.163307D+02
      6  -0.100082D+02 -0.130182D+02 -0.122936D+02 -0.852269D+01 -0.103516D+01
               101           102           103           104           105 
      1  -0.503961D+01  0.103967D+02  0.810966D+01  0.189580D+02 -0.323055D+01
      2   0.346626D+01 -0.713650D+01 -0.101499D+02 -0.644533D+01  0.240862D+01
      3   0.157334D+01 -0.326022D+01  0.204027D+01 -0.125127D+02  0.821927D+00
      4   0.915091D+01 -0.185124D+01  0.198115D+02 -0.112849D+02 -0.341641D-02
      5  -0.118915D+01 -0.164117D+02 -0.261520D+01  0.307677D+00  0.313114D+02
      6   0.433226D+00  0.829608D+01 -0.245739D+01  0.224133D+01 -0.709907D+01
               106           107           108           109           110 
      1   0.350101D+02 -0.101188D+02 -0.167435D+02  0.473162D+02 -0.908095D+01
      2  -0.153592D+02  0.867127D-01  0.152829D+02 -0.270662D+02  0.411771D+01
      3  -0.196509D+02  0.100321D+02  0.146065D+01 -0.202500D+02  0.496324D+01
      4  -0.201039D+02  0.160999D+02  0.212064D+02 -0.157987D+02  0.119220D+02
      5  -0.367844D+02  0.214011D+02  0.285933D+02 -0.378752D+02  0.320616D+01
      6   0.116561D+02 -0.135966D+02 -0.483198D+01  0.722481D+01 -0.327856D+01
               111           112           113           114           115 
      1  -0.274375D+02 -0.162833D+02  0.963311D+00  0.121210D+00 -0.571106D+02
      2   0.182250D+02  0.542424D+01  0.391888D+01 -0.539631D+00  0.317338D+02
      3   0.921242D+01  0.108591D+02 -0.488219D+01  0.418421D+00  0.253769D+02
      4   0.578327D+01  0.194755D+02 -0.157585D+02 -0.178914D+02  0.238795D+02
      5   0.306286D+02  0.990675D+01 -0.184795D+02 -0.206904D+02  0.481187D+02
      6  -0.588347D+01 -0.382678D+01  0.874448D+01  0.144614D+02 -0.744704D+01
               116           117           118           119           120 
      1   0.699942D+01  0.139720D+02  0.411208D+01  0.971406D+01  0.138968D+02
      2  -0.220053D+01 -0.242624D+02 -0.112792D+02  0.329194D+01 -0.101862D+02
      3  -0.479889D+01  0.102903D+02  0.716712D+01 -0.130060D+02 -0.371059D+01
      4  -0.298498D+02 -0.141676D+02  0.183079D+02 -0.244336D+02  0.338380D+00
      5  -0.138650D+02 -0.764556D+02  0.121627D+02  0.375460D+01  0.103371D+02
      6   0.149345D+02  0.196496D+02 -0.418705D+00 -0.213753D+01 -0.104288D+01
               121           122           123           124           125 
      1   0.173666D+02 -0.308882D+02  0.857236D+01  0.289436D+02  0.149272D+01
      2   0.190389D+01  0.843936D+01 -0.503565D+01 -0.165648D+02 -0.289737D+01
      3  -0.192704D+02  0.224488D+02 -0.353671D+01 -0.123788D+02  0.140465D+01
      4  -0.303422D+02  0.358038D+02  0.532951D+01 -0.151156D+02  0.176753D+02
      5   0.243045D+01  0.490336D+01 -0.597872D+01  0.299377D+02 -0.177526D+02
      6  -0.146605D+01 -0.452779D+01  0.886860D+01 -0.861138D+01  0.147172D+02
               126           127           128           129           130 
      1   0.399868D+01  0.360183D+00 -0.283359D+01 -0.205086D+01 -0.706297D+00
      2  -0.133163D+02 -0.100403D+01  0.243737D+01 -0.570966D-01 -0.584182D-01
      3   0.931759D+01  0.643846D+00  0.396217D+00  0.210795D+01  0.764716D+00
      4  -0.148717D+02  0.423473D+01  0.448776D+01  0.449754D+01  0.414556D+01
      5   0.422600D+02  0.770094D+01  0.481299D+01  0.857784D+01  0.616794D+01
      6  -0.147657D+02  0.539170D+01  0.446241D+01  0.595791D+01  0.489804D+01
               131           132           133           134           135 
      1  -0.764380D+01 -0.847013D+01 -0.367584D+01 -0.115634D+02 -0.196257D+02
      2   0.449202D+01  0.148901D+01 -0.124612D+01  0.470474D+01 -0.273796D+00
      3   0.315178D+01  0.698112D+01  0.492196D+01  0.685870D+01  0.198995D+02
      4   0.514362D+01  0.402949D+01  0.421319D+01  0.417892D+01  0.498830D+01
      5   0.567880D+01  0.810066D+01  0.967830D+01  0.664607D+01  0.144803D+02
      6   0.907489D+01  0.104066D+02  0.674095D+01  0.126789D+02  0.178303D+02
               136           137           138           139           140 
      1   0.359205D+01 -0.280913D-01  0.199706D+01  0.104848D+01 -0.234726D+01
      2  -0.525628D+01  0.515530D+00  0.358507D+01  0.876615D+00  0.533491D+00
      3   0.166423D+01 -0.487438D+00 -0.558212D+01 -0.192510D+01  0.181376D+01
      4  -0.430518D+01  0.297812D+01  0.254145D+01  0.266797D+01 -0.168912D+01
      5  -0.945856D+01  0.144844D+01  0.907666D+01  0.233578D+01 -0.239338D+01
      6   0.101776D+01 -0.194231D+01 -0.124878D+01 -0.188644D+01  0.255385D+01
               141           142           143           144           145 
      1  -0.486638D+01  0.396866D+01 -0.366245D+01 -0.144458D+02 -0.304845D+01
      2  -0.648193D+00  0.392398D+01  0.421139D+00 -0.694654D+01 -0.227905D+01
      3   0.551457D+01 -0.789264D+01  0.324131D+01  0.213924D+02  0.532750D+01
      4  -0.228679D+01  0.463376D+01 -0.441053D+01 -0.621739D+01  0.452436D+01
      5  -0.245035D+01  0.112332D+02 -0.306800D+01 -0.154146D+02  0.100994D+02
      6   0.383782D+01 -0.357061D+01  0.543301D+01  0.699951D+01  0.603153D+01
               146           147           148           149           150 
      1  -0.345529D+01 -0.514292D+01 -0.407011D+01 -0.805748D+01 -0.124493D+02
      2   0.747343D+00 -0.214638D+01 -0.103637D+01  0.169176D+01 -0.123056D+01
      3   0.270794D+01  0.728930D+01  0.510649D+01  0.636573D+01  0.136799D+02
      4   0.421183D+01  0.411402D+01  0.311656D+01  0.362808D+01  0.337428D+01
      5   0.580491D+01  0.118128D+02  0.654871D+01  0.559304D+01  0.949350D+01
      6   0.512442D+01  0.680193D+01  0.474402D+01  0.864383D+01  0.110141D+02
               151           152           153           154           155 
      1  -0.765821D+01 -0.126679D+02 -0.268133D+02 -0.646337D-01 -0.503248D+00
      2  -0.266418D+01  0.108024D+01 -0.714680D+01 -0.846968D+01  0.111156D+01
      3   0.103224D+02  0.115877D+02  0.339601D+02  0.853431D+01 -0.608310D+00
      4   0.385866D+01  0.377289D+01  0.409920D+01 -0.372034D+01  0.298993D+01
      5   0.111084D+02  0.721839D+01  0.178875D+02 -0.158852D+02  0.205989D+01
      6   0.713732D+01  0.132472D+02  0.195748D+02  0.721608D+00 -0.253364D+01
               156           157           158           159           160 
      1   0.451786D+01  0.456071D+01 -0.241363D+01 -0.640167D+01  0.391692D+01
      2   0.877026D+01 -0.352138D+00 -0.446998D+00 -0.247577D+01  0.965899D+01
      3  -0.132881D+02 -0.420857D+01  0.286063D+01  0.887744D+01 -0.135759D+02
      4   0.306694D+01  0.109446D+01 -0.134736D+01 -0.304433D+01  0.486619D+01
      5   0.169947D+02  0.219129D+01 -0.308803D+01 -0.393695D+01  0.172016D+02
      6  -0.393923D+00 -0.206113D+01  0.246705D+01  0.410492D+01 -0.315637D+01
               161           162           163           164           165 
      1  -0.342918D+01 -0.212221D+02  0.148773D+02 -0.594358D+00 -0.734284D+01
      2  -0.118790D+01 -0.156901D+02 -0.112234D+02  0.542427D+00  0.606187D+01
      3   0.461708D+01  0.369123D+02 -0.365394D+01  0.519311D-01  0.128097D+01
      4  -0.413900D+01 -0.621947D+01  0.330307D+01  0.690642D+01 -0.595671D+01
      5  -0.412135D+01 -0.254991D+02 -0.155141D+02 -0.527909D+01  0.176189D+02
      6   0.587956D+01  0.608210D+01 -0.370215D+01 -0.238454D+01  0.400886D+01
               166           167           168           169           170 
      1  -0.920924D+01 -0.117669D+01  0.889986D+00 -0.145983D+02  0.117157D+01
      2   0.508469D+01  0.170537D+01 -0.768824D+00  0.121876D+02  0.522748D+00
      3   0.412455D+01 -0.528682D+00 -0.121163D+00  0.241072D+01 -0.169432D+01
      4   0.561538D+01  0.606436D+01 -0.526747D+01 -0.827679D+01 -0.884150D+01
      5  -0.205648D+01 -0.571122D+01  0.108428D+01  0.216734D+02  0.109066D+02
      6  -0.228073D+01 -0.231994D+01  0.539161D+01  0.664322D+01  0.752608D+01
               171           172           173           174           175 
      1  -0.416890D+01  0.871473D+01  0.667674D+01  0.363332D+01  0.888015D+01
      2  -0.112313D+02  0.421563D+00 -0.129714D+01 -0.119325D+01  0.542662D+01
      3   0.154002D+02 -0.913630D+01 -0.537959D+01 -0.244007D+01 -0.143068D+02
      4   0.108177D+02  0.101964D+02  0.130816D+02  0.645045D+00  0.253974D+02
      5  -0.423674D+02  0.467234D+01  0.320841D-01  0.386610D+01  0.166744D+01
      6  -0.142841D+02  0.158182D+01  0.508957D-03  0.642928D+00  0.134094D+01
               176           177           178           179           180 
      1  -0.167631D+02 -0.154986D+01  0.181612D+02 -0.337105D+01  0.592331D-01
      2   0.381541D+02  0.425777D+01 -0.472900D+01  0.803274D+01  0.189816D+01
      3  -0.213910D+02 -0.270791D+01 -0.134322D+02 -0.466169D+01 -0.195739D+01
      4   0.537659D+02  0.621038D+01  0.754415D+01  0.155438D+02  0.828498D+01
      5   0.567182D+01  0.564123D+01  0.922382D+01  0.810825D+01  0.234401D+01
      6   0.304732D+01  0.538706D+01  0.334408D+01  0.742804D+01  0.270407D+01
               181           182           183           184           185 
      1  -0.138647D+02  0.488738D+01  0.137067D+02  0.109782D+02 -0.754386D+01
      2   0.260307D+01 -0.235552D+01 -0.261776D+01 -0.540364D+01  0.295796D+01
      3   0.112616D+02 -0.253186D+01 -0.110890D+02 -0.557452D+01  0.458590D+01
      4   0.579562D+01 -0.229576D+01  0.179436D+01  0.536797D+00 -0.489851D+01
      5   0.704742D+01  0.167852D+01 -0.595963D+01  0.137718D+01  0.368076D+01
      6  -0.346738D+00 -0.508121D+00  0.448864D+00 -0.125975D+01 -0.136787D+00
               186           187           188           189           190 
      1   0.245683D+01  0.224932D+02  0.341978D+01 -0.290450D+02  0.122530D+02
      2  -0.113111D+01 -0.830527D+01 -0.191116D+01 -0.700103D+01 -0.646269D+01
      3  -0.132572D+01 -0.141880D+02 -0.150862D+01  0.360460D+02 -0.579035D+01
      4   0.407789D+01  0.262345D+01  0.714855D+01  0.260224D-01 -0.112946D+02
      5  -0.644423D+00 -0.259055D+01  0.306698D+00  0.474338D+02 -0.155693D+02
      6   0.674549D+01  0.255993D+00  0.364548D+01 -0.137858D+01  0.407315D+01
               191           192           193           194           195 
      1  -0.590517D+01 -0.118245D+02 -0.107995D+01  0.186633D+01 -0.219052D+01
      2   0.114460D+01  0.836472D+01 -0.945286D+00 -0.426511D+00  0.245831D+01
      3   0.476057D+01  0.345974D+01  0.202523D+01 -0.143982D+01 -0.267796D+00
      4   0.111248D+02  0.628851D+01  0.738800D+01 -0.409149D+01 -0.578519D+01
      5   0.370141D+01  0.198206D+02  0.221092D-01 -0.573973D+01 -0.255978D+01
      6  -0.161274D+01 -0.647119D+01 -0.167758D+01  0.205860D+01  0.602781D+01
               196           197           198           199           200 
      1  -0.179151D+02 -0.106973D+01  0.788210D+01  0.315677D+02 -0.200316D+02
      2   0.120270D+02  0.289620D+01 -0.140175D+02 -0.744006D+01  0.682531D+00
      3   0.588805D+01 -0.182648D+01  0.613541D+01 -0.241277D+02  0.193490D+02
      4   0.110297D+02 -0.149797D+02 -0.179471D+02 -0.388330D+02  0.357899D+02
      5   0.246528D+02 -0.138207D+02 -0.538023D+02  0.156540D+02 -0.103373D+02
      6  -0.872707D+01  0.874987D+01  0.203875D+02 -0.774031D+01  0.643197D+01
               201           202           203           204           205 
      1   0.108192D+02 -0.181655D+02  0.101375D+02 -0.371027D+01  0.186562D+02
      2  -0.286203D+01 -0.679027D+00  0.113434D+02 -0.343592D+01 -0.564017D+01
      3  -0.795716D+01  0.188445D+02 -0.214810D+02  0.714619D+01 -0.130161D+02
      4  -0.131078D+02  0.365007D+02 -0.443713D+02  0.183294D+02 -0.232949D+02
      5   0.149462D+02 -0.114809D+02  0.163280D+02 -0.120838D+02  0.205802D+02
      6  -0.739750D+01  0.779301D+01 -0.113575D+02  0.877521D+01 -0.101438D+02
               206           207           208           209           210 
      1  -0.589594D+01  0.937071D+01 -0.551811D+02 -0.236967D+02 -0.130094D+01
      2  -0.451395D+01 -0.381211D+01  0.322902D+02  0.206089D+02  0.104091D+01
      3   0.104099D+02 -0.555860D+01  0.228909D+02  0.308779D+01  0.260025D+00
      4   0.298548D+02 -0.196879D+02  0.492463D+01 -0.102942D+02 -0.187405D+01
      5  -0.166242D+02  0.162287D+02 -0.174023D+01 -0.264114D+01 -0.157334D+01
      6   0.114896D+02 -0.993102D+01 -0.158029D+01 -0.556296D+00  0.235995D+01
               211           212           213           214           215 
      1  -0.194455D+02 -0.191251D+02 -0.124879D+01 -0.170332D+01 -0.135016D+00
      2   0.156131D+02  0.182463D+02  0.799714D-01  0.166960D+01 -0.272708D+00
      3   0.383231D+01  0.878855D+00  0.116882D+01  0.337195D-01  0.407724D+00
      4  -0.514449D+00 -0.657282D+01  0.176239D+01 -0.737418D+00  0.321346D+01
      5  -0.151069D+01  0.109547D+01 -0.227235D+01  0.231899D+01 -0.407730D+01
      6   0.738598D+00 -0.607834D+00  0.313745D+01  0.139905D+01  0.440960D+01
               216           217           218           219           220 
      1  -0.383985D+01  0.399763D+02  0.145356D+01 -0.232611D+02 -0.487529D+01
      2   0.190049D+01 -0.214620D+02  0.118907D+00  0.113995D+02  0.401604D+01
      3   0.193936D+01 -0.185143D+02 -0.157247D+01  0.118616D+02  0.859251D+00
      4  -0.402962D+01  0.321387D+01  0.779568D+01 -0.559791D+01  0.129039D+02
      5  -0.389524D+01 -0.229852D+02 -0.488970D+01  0.256858D+02 -0.421117D+01
      6   0.931665D+00 -0.309386D+01 -0.404346D+00  0.264137D+01 -0.128871D+01
               221           222           223           224           225 
      1   0.777987D+01 -0.385001D+01 -0.533837D+02 -0.952637D+01  0.335062D+02
      2  -0.254175D+01  0.166800D+01  0.277756D+02  0.411972D+01 -0.209009D+02
      3  -0.523812D+01  0.218201D+01  0.256081D+02  0.540665D+01 -0.126052D+02
      4   0.885600D+01 -0.571786D+01 -0.125805D+02 -0.132947D+02  0.763263D+01
      5  -0.514151D+01  0.223737D+01  0.413326D+02  0.720106D+01 -0.602110D+02
      6   0.124125D+00  0.404707D+01  0.389046D+01  0.398615D+01 -0.733030D+01
               226           227           228           229           230 
      1   0.229773D+01  0.981801D+01  0.514968D+01  0.231409D+02  0.569870D+01
      2   0.468485D+00 -0.395511D+01 -0.245591D+01 -0.775150D+01  0.131201D+02
      3  -0.276622D+01 -0.586290D+01 -0.269377D+01 -0.153894D+02 -0.188188D+02
      4   0.902453D+01  0.982027D+01  0.207535D+01  0.329787D+02  0.810477D+02
      5   0.511010D+01  0.240197D+01  0.633346D+01  0.103161D+02  0.274872D+02
      6   0.250783D+01  0.871020D+00  0.318781D+00  0.588982D+01  0.173945D+02
               231           232           233           234           235 
      1  -0.622658D+00  0.110723D+02 -0.178867D+01  0.649574D+01  0.804856D+02
      2   0.227479D+01 -0.618694D+01  0.251079D+01 -0.436909D+01 -0.460278D+02
      3  -0.165214D+01 -0.488539D+01 -0.722112D+00 -0.212665D+01 -0.344577D+02
      4   0.261664D+02  0.816379D+01  0.268209D+02  0.174198D+02 -0.234319D+02
      5   0.197310D+02  0.169314D+02  0.181803D+02  0.143802D+02  0.381510D+02
      6   0.107479D+02  0.367217D+01  0.110466D+02  0.729538D+01 -0.334485D+01
               236           237           238           239           240 
      1  -0.233701D+02  0.291615D+02 -0.564589D+02  0.189119D+02 -0.182000D+02
      2   0.135890D+02 -0.190157D+02  0.315379D+02 -0.944268D+01  0.129229D+02
      3   0.978109D+01 -0.101458D+02  0.249211D+02 -0.946922D+01  0.527709D+01
      4   0.171404D+02 -0.106279D+02  0.267612D+02 -0.201541D+02  0.170941D+02
      5  -0.125279D+02  0.292971D+02 -0.261892D+02  0.180816D+02 -0.201740D+02
      6   0.225285D+01 -0.670048D+00  0.492327D+01 -0.365621D+01  0.434251D+01
               241           242           243           244           245 
      1   0.467584D+02 -0.111771D+02  0.302121D+02  0.232190D+01  0.708949D+00
      2  -0.304683D+02  0.883576D+01 -0.231925D+02 -0.325954D+01 -0.262248D-01
      3  -0.162902D+02  0.234138D+01 -0.701961D+01  0.937634D+00 -0.682725D+00
      4  -0.130330D+02  0.182631D+02 -0.110117D+02  0.532682D+01  0.735340D+01
      5   0.446403D+02 -0.122296D+02  0.323656D+02  0.132132D+02  0.418506D+01
      6  -0.191415D+01  0.481954D+01 -0.312387D+01  0.594839D+01  0.152324D+01
               246           247           248           249           250 
      1   0.801001D+01 -0.490862D+00 -0.853283D+00 -0.138704D+01  0.102092D+02
      2  -0.482480D+01  0.144126D+01  0.294931D+01  0.154683D+01 -0.750806D+01
      3  -0.318521D+01 -0.950396D+00 -0.209602D+01 -0.159781D+00 -0.270112D+01
      4   0.459463D+01  0.108596D+02  0.113557D+02  0.840074D+01  0.650608D+01
      5   0.112319D+02  0.518567D+01  0.876001D+01  0.119092D+02  0.157910D+02
      6   0.333369D+01  0.314516D+01  0.612641D+01  0.918856D+01  0.525857D+01
               251           252           253           254           255 
      1  -0.343059D+01 -0.384226D+01 -0.439959D+02 -0.479456D+02  0.821644D+01
      2   0.156767D+01 -0.665578D+01  0.292418D+01  0.333274D+02  0.168179D+01
      3   0.186292D+01  0.104980D+02  0.410717D+02  0.146183D+02 -0.989823D+01
      4   0.121168D+02  0.128538D+02 -0.612024D+02 -0.104306D+02  0.640955D+01
      5   0.123869D+02  0.353937D+02  0.138559D+02  0.994044D+01  0.560467D+01
      6   0.849297D+01  0.159473D+02  0.672159D+01  0.853233D+00  0.297490D+01
               256           257           258           259           260 
      1  -0.365608D+02  0.138329D+02  0.122872D+02 -0.211777D+01  0.141762D+02
      2   0.290575D+02 -0.177086D+02 -0.479068D+01  0.187101D+01 -0.126215D+02
      3   0.750337D+01  0.387572D+01 -0.749650D+01  0.246764D+00 -0.155472D+01
      4   0.529417D+01  0.564237D+01 -0.927300D+01 -0.565792D+01 -0.172823D+02
      5   0.152806D+01 -0.143192D+02  0.152766D+02  0.141934D+02  0.152476D+02
      6  -0.646524D+01 -0.934038D+01  0.131998D+02  0.108783D+02  0.154489D+02
               261           262           263           264           265 
      1   0.919793D+01  0.332915D+02 -0.243030D+02  0.614151D+01 -0.273088D+02
      2   0.138489D+02 -0.877691D+01  0.455314D+01 -0.229562D+01  0.153265D+01
      3  -0.230468D+02 -0.245145D+02  0.197498D+02 -0.384589D+01  0.257761D+02
      4   0.205005D+02 -0.366987D+02  0.344558D+02 -0.761398D+01  0.479156D+02
      5   0.143832D+02  0.125586D+02 -0.893765D+01  0.888700D+01 -0.124907D+02
      6   0.421027D+01 -0.468656D+01  0.443643D+01 -0.254035D+01  0.589616D+01
               266           267           268           269           270 
      1   0.218996D+02 -0.471457D+01 -0.713312D+01  0.670152D+01  0.157309D+01
      2   0.785013D+01  0.719648D+00 -0.736478D+00  0.147687D+01 -0.331397D+00
      3  -0.297498D+02  0.399492D+01  0.786960D+01 -0.817839D+01 -0.124170D+01
      4  -0.609484D+02  0.119553D+02  0.102200D+02 -0.112642D+02 -0.480721D+01
      5   0.140457D+02 -0.122775D+02  0.480200D+01 -0.437641D+01  0.407157D+01
      6  -0.884702D+01  0.536506D+01 -0.214220D+01  0.325311D+01 -0.152069D+01
               271           272           273           274           275 
      1  -0.123072D+02  0.267674D+02 -0.183745D+01  0.177051D+02 -0.367841D+02
      2   0.148874D+02 -0.294208D+02 -0.462207D-01 -0.162415D+02  0.513076D+02
      3  -0.258011D+01  0.265349D+01  0.188367D+01 -0.146367D+01 -0.145235D+02
      4   0.256650D+01 -0.495735D+01  0.122158D+01  0.383941D+01  0.214407D+02
      5   0.259222D+01 -0.260762D+01 -0.306171D+01 -0.374995D+01  0.421192D+01
      6  -0.124308D+01  0.407821D+01 -0.466638D+01  0.131860D+01 -0.604765D+01
               276           277           278           279           280 
      1   0.121689D+00  0.353007D+01 -0.583512D+01 -0.659318D+01  0.129615D+01
      2   0.594421D+00 -0.242756D+01  0.921995D+01  0.443954D+01 -0.226272D+01
      3  -0.716110D+00 -0.110251D+01 -0.338483D+01  0.215364D+01  0.966576D+00
      4  -0.198717D+00  0.166254D+01  0.749857D+01 -0.756012D+00  0.277808D+01
      5   0.244317D+01 -0.162473D+01  0.185466D+01  0.704790D+00 -0.406924D+01
      6   0.550708D+01 -0.305031D+01  0.494794D+01  0.787584D+00 -0.202515D+01
               281           282           283           284           285 
      1   0.478169D+01 -0.793116D+01 -0.794173D+00 -0.321599D+01 -0.265535D+01
      2  -0.446364D+01  0.109249D+01 -0.131225D+01 -0.503293D+00 -0.365167D+01
      3  -0.318044D+00  0.683868D+01  0.210642D+01  0.371928D+01  0.630702D+01
      4   0.401843D+00 -0.257533D+01 -0.174635D+01 -0.612922D+01 -0.176567D+01
      5  -0.476524D+00 -0.410643D+00  0.133998D+01 -0.748013D+00 -0.739499D+01
      6   0.143164D+01 -0.285986D+01  0.118638D+01  0.151605D+01 -0.799552D+00
               286           287           288           289           290 
      1  -0.855933D+01  0.180601D+01 -0.185330D+02  0.795458D+02  0.260743D+02
      2   0.324007D+01 -0.545861D+01 -0.145775D+02 -0.247184D+02 -0.124525D+01
      3   0.531926D+01  0.365259D+01  0.331106D+02 -0.548274D+02 -0.248291D+02
      4  -0.587345D+01 -0.842016D+01 -0.293121D+01  0.699443D+02  0.405332D+02
      5   0.542626D+01  0.543156D+00 -0.328489D+02 -0.222452D+02 -0.106563D+02
      6   0.490746D+00  0.473718D+01 -0.195517D+02 -0.918215D+01 -0.716567D+01
               291           292           293           294           295 
      1  -0.587096D+01  0.173569D+02  0.953545D+01 -0.195142D+01  0.109104D+01
      2   0.229858D+01  0.917477D+00  0.651328D+01  0.950007D-01  0.131198D+01
      3   0.357237D+01 -0.182744D+02 -0.160487D+02  0.185642D+01 -0.240302D+01
      4  -0.966693D+01  0.321344D+02  0.254377D+02 -0.361694D+01  0.957150D-01
      5   0.133078D+02 -0.652809D+01 -0.365449D+01  0.329351D+01  0.118844D+02
      6   0.742102D+01 -0.453358D+01 -0.395543D+01  0.268545D+01  0.598795D+01
               296           297 
      1  -0.119420D+01  0.576538D+01
      2   0.227802D+01 -0.433261D+01
      3  -0.108382D+01 -0.143278D+01
      4   0.159335D+01  0.579494D+01
      5   0.440645D+01 -0.486772D+01
      6   0.305597D+01 -0.240607D+01
 Leave Link  716 at Wed Sep  8 14:22:43 2021, MaxMem=  6442450944 cpu:               5.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224109D+03  0.924788D+01 -0.438056D+01
      2   0.924788D+01  0.137565D+03  0.706959D+01
      3  -0.438056D+01  0.706959D+01  0.150335D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.668936D+01 -0.140980D+01 -0.589315D+01
      2  -0.429466D+02 -0.159200D+02 -0.359752D+02
      3   0.286670D+02  0.540070D+02  0.848800D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.259196D+03 -0.745552D+02 -0.508279D+02
      2   0.140927D+03  0.679468D+02  0.199453D+01
      3   0.118269D+03  0.660835D+01  0.488334D+02
      4  -0.103705D+02 -0.975767D+02 -0.280950D+02
      5  -0.468043D+02 -0.261378D+02 -0.753072D+02
      6  -0.691785D+01 -0.231502D+02  0.188938D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.113121D+02  0.231657D+01 -0.868528D+00 -0.105757D+00 -0.123615D+00
      2   0.231657D+01  0.236092D+00  0.313012D+00 -0.123615D+00 -0.367602D+01
      3  -0.868528D+00  0.313012D+00 -0.160079D+01  0.162470D+01 -0.157108D+01
                 6             7             8             9            10 
      1   0.162470D+01 -0.133108D+02 -0.112088D+01  0.296561D+00 -0.334514D+02
      2  -0.157108D+01 -0.112088D+01  0.133206D-01  0.120746D+01 -0.354131D+01
      3   0.887197D+00  0.296561D+00  0.120746D+01 -0.154264D+01 -0.339813D+00
                11            12            13            14            15 
      1  -0.354131D+01 -0.339813D+00 -0.797937D+01 -0.523051D+01  0.123173D+01
      2  -0.178970D+01 -0.749391D+00 -0.523051D+01 -0.296555D+01  0.406727D+00
      3  -0.749391D+00 -0.271019D+01  0.123173D+01  0.406727D+00 -0.680728D+00
                16            17            18            19            20 
      1  -0.153755D+01  0.161787D+01 -0.128255D+01 -0.987661D+01 -0.262014D+01
      2   0.161787D+01  0.586582D+00 -0.141476D+00 -0.262014D+01  0.162797D+01
      3  -0.128255D+01 -0.141476D+00  0.151902D+01  0.433396D+00  0.147394D+01
                21            22            23            24            25 
      1   0.433396D+00 -0.949159D+01 -0.653145D-01  0.809571D+00 -0.125112D+02
      2   0.147394D+01 -0.653145D-01 -0.141963D+01 -0.162914D+01 -0.281279D+01
      3   0.109582D+01  0.809571D+00 -0.162914D+01  0.203496D+01  0.420957D+00
                26            27            28            29            30 
      1  -0.281279D+01  0.420957D+00  0.308826D+02  0.469310D+01 -0.172586D+01
      2  -0.123897D+01  0.123973D+01  0.469310D+01  0.231988D+01  0.749598D-01
      3   0.123973D+01 -0.236319D+01 -0.172586D+01  0.749598D-01  0.250179D+01
                31            32            33            34            35 
      1   0.501239D+01  0.593905D+01 -0.164257D+01 -0.114196D+01 -0.121561D+01
      2   0.593905D+01  0.218517D+01 -0.768415D+00 -0.121561D+01 -0.171234D+01
      3  -0.164257D+01 -0.768415D+00  0.153058D+01  0.112661D+01  0.391316D+00
                36            37            38            39            40 
      1   0.112661D+01 -0.136715D+02 -0.299335D+01  0.119971D+01 -0.145046D+01
      2   0.391316D+00 -0.299335D+01 -0.352265D+00 -0.371278D+00  0.794074D+00
      3   0.793927D+00  0.119971D+01 -0.371278D+00  0.322227D+01 -0.172021D+01
                41            42            43            44            45 
      1   0.794074D+00 -0.172021D+01  0.153779D+02  0.962426D+00 -0.159120D+01
      2   0.390086D+01  0.194613D+01  0.962426D+00  0.678286D+00 -0.146033D+01
      3   0.194613D+01 -0.940715D+00 -0.159120D+01 -0.146033D+01  0.126515D+01
                46            47            48            49            50 
      1   0.120087D+02  0.262338D+01 -0.657334D+00  0.118491D+02 -0.556895D+00
      2   0.262338D+01 -0.146526D+01 -0.141635D+01 -0.556895D+00  0.115935D+01
      3  -0.657334D+00 -0.141635D+01 -0.207214D+01 -0.266641D+00  0.203864D+01
                51            52            53            54            55 
      1  -0.266641D+00  0.118787D+02  0.248920D+01  0.108271D+01  0.200181D+02
      2   0.203864D+01  0.248920D+01  0.130407D+01 -0.120906D+01 -0.170544D+00
      3  -0.330554D+01  0.108271D+01 -0.120906D+01  0.152538D+01  0.122386D+01
                56            57            58            59            60 
      1  -0.170544D+00  0.122386D+01 -0.468730D+01  0.471144D+01 -0.133759D+01
      2   0.152756D+01 -0.596130D+00  0.471144D+01  0.601897D+01  0.170118D+01
      3  -0.596130D+00  0.206516D+01 -0.133759D+01  0.170118D+01  0.142594D+00
                61            62            63            64            65 
      1   0.915839D+01 -0.707171D+00  0.408517D+01 -0.489773D+01  0.420031D+01
      2  -0.707171D+00  0.281915D+01  0.107426D+01  0.420031D+01 -0.872151D+00
      3   0.408517D+01  0.107426D+01 -0.451695D+01  0.141794D+00  0.127906D+01
                66            67            68            69            70 
      1   0.141794D+00  0.139060D+02 -0.184843D+01  0.238842D+01 -0.724872D+01
      2   0.127906D+01 -0.184843D+01 -0.442262D+01 -0.183952D+01  0.115625D+01
      3  -0.325626D+01  0.238842D+01 -0.183952D+01  0.405462D+00 -0.504965D+01
                71            72            73            74            75 
      1   0.115625D+01 -0.504965D+01 -0.315016D+01 -0.480920D+01  0.671208D+00
      2  -0.261948D+01  0.798068D-01 -0.480920D+01  0.102603D+01 -0.133987D+01
      3   0.798068D-01  0.606767D+01  0.671208D+00 -0.133987D+01  0.288250D+01
                76            77            78            79            80 
      1  -0.624954D+01  0.125104D+01 -0.175071D+01  0.196613D+01 -0.170729D+01
      2   0.125104D+01  0.182500D+01  0.249716D+01 -0.170729D+01  0.355562D+01
      3  -0.175071D+01  0.249716D+01 -0.103831D+01  0.400091D+01 -0.173343D+01
                81            82            83            84            85 
      1   0.400091D+01 -0.240653D+01 -0.406099D+01  0.152491D-01 -0.693992D+01
      2  -0.173343D+01 -0.406099D+01  0.662225D+00 -0.168971D+01  0.233384D+01
      3  -0.428717D+01  0.152491D-01 -0.168971D+01  0.348793D+01 -0.223809D+01
                86            87            88            89            90 
      1   0.233384D+01 -0.223809D+01  0.158563D+01 -0.185322D+01  0.523021D+01
      2   0.504129D+01  0.344726D+01 -0.185322D+01  0.341262D+01  0.326838D+00
      3   0.344726D+01 -0.243761D+00  0.523021D+01  0.326838D+00 -0.310675D+01
                91            92            93            94            95 
      1  -0.645123D+01  0.125208D+00 -0.558056D+00  0.505420D+01 -0.650755D+01
      2   0.125208D+00 -0.257777D+01  0.549628D+00 -0.650755D+01 -0.641164D+00
      3  -0.558056D+00  0.549628D+00 -0.132566D+01  0.118142D+01  0.119831D+01
                96            97            98            99           100 
      1   0.118142D+01  0.243301D+01  0.197749D+01 -0.224976D+01 -0.353966D+01
      2   0.119831D+01  0.197749D+01  0.310605D+01 -0.344472D+01 -0.112595D+00
      3  -0.269937D+01 -0.224976D+01 -0.344472D+01 -0.315099D+01  0.227064D+01
               101           102           103           104           105 
      1  -0.112595D+00  0.227064D+01  0.208105D+00  0.253995D+01 -0.628117D+00
      2   0.156648D+01 -0.108518D+00  0.253995D+01 -0.252454D+01 -0.158207D+00
      3  -0.108518D+00 -0.127964D+01 -0.628117D+00 -0.158207D+00  0.224261D+01
               106           107           108           109           110 
      1   0.603772D+01 -0.233992D+01 -0.265353D+01  0.565291D+01 -0.125101D+01
      2  -0.233992D+01  0.118155D+01  0.253628D+01 -0.125101D+01  0.534578D+00
      3  -0.265353D+01  0.253628D+01  0.325737D+01 -0.390163D+01  0.293675D+00
               111           112           113           114           115 
      1  -0.390163D+01 -0.384777D+01  0.151427D+01  0.994568D+00 -0.119544D+02
      2   0.293675D+00  0.151427D+01 -0.150539D+01 -0.212656D+01  0.212377D+01
      3   0.236603D+01  0.994568D+00 -0.212656D+01 -0.197926D+01  0.455090D+01
               116           117           118           119           120 
      1   0.212377D+01  0.455090D+01 -0.227246D+00  0.195868D+01  0.117485D+01
      2  -0.334096D+01 -0.157287D+01  0.195868D+01 -0.331885D+01  0.343164D+00
      3  -0.157287D+01 -0.870999D+01  0.117485D+01  0.343164D+00  0.169518D+00
               121           122           123           124           125 
      1   0.150729D+01 -0.360009D+01  0.497514D+00  0.613779D+01 -0.109208D+01
      2  -0.360009D+01  0.393838D+01  0.875558D+00 -0.109208D+01  0.197311D+01
      3   0.497514D+00  0.875558D+00 -0.293213D+00  0.191854D+01 -0.204764D+01
               126           127           128           129           130 
      1   0.191854D+01 -0.206769D+01 -0.115939D+01 -0.164550D+01 -0.159641D+01
      2  -0.204764D+01 -0.115939D+01 -0.993470D+00 -0.107562D+01 -0.930649D+00
      3   0.454235D+01 -0.164550D+01 -0.107562D+01 -0.144287D+01 -0.160946D+01
               131           132           133           134           135 
      1  -0.930649D+00 -0.160946D+01 -0.191626D+01 -0.121934D+01 -0.211745D+01
      2  -0.151024D+01 -0.167826D+01 -0.121934D+01 -0.228682D+01 -0.283886D+01
      3  -0.167826D+01 -0.273307D+01 -0.211745D+01 -0.283886D+01 -0.546366D+01
               136           137           138           139           140 
      1   0.347372D+01 -0.237252D+00 -0.207017D+01 -0.615038D+00  0.233690D+00
      2  -0.237252D+00  0.453272D+00  0.231806D+00  0.233690D+00 -0.472936D+00
      3  -0.207017D+01  0.231806D+00  0.205315D+01  0.574174D+00 -0.520845D+00
               141           142           143           144           145 
      1   0.574174D+00 -0.260342D+01  0.749492D+00  0.279378D+01  0.203975D+01
      2  -0.520845D+00  0.749492D+00 -0.100153D+01 -0.119046D+01  0.129121D+01
      3  -0.158802D+01  0.279378D+01 -0.119046D+01 -0.514314D+01  0.182326D+01
               146           147           148           149           150 
      1   0.129121D+01  0.182326D+01  0.118948D+01  0.824999D+00  0.152057D+01
      2   0.977229D+00  0.113875D+01  0.824999D+00  0.111540D+01  0.156865D+01
      3   0.113875D+01  0.187659D+01  0.152057D+01  0.156865D+01  0.300156D+01
               151           152           153           154           155 
      1   0.178284D+01  0.118908D+01  0.231264D+01 -0.316135D+01  0.314411D+00
      2   0.118908D+01  0.213137D+01  0.281533D+01  0.314411D+00 -0.275493D+00
      3   0.231264D+01  0.281533D+01  0.646494D+01  0.262996D+01 -0.250997D+00
               156           157           158           159           160 
      1   0.262996D+01  0.433308D+00 -0.255535D+00 -0.502871D+00  0.296517D+01
      2  -0.250997D+00 -0.255535D+00  0.314647D+00  0.512963D+00 -0.708610D+00
      3  -0.303580D+01 -0.502871D+00  0.512963D+00  0.169995D+01 -0.339458D+01
               161           162           163           164           165 
      1  -0.708610D+00 -0.339458D+01 -0.245951D+01 -0.866777D-01  0.162952D+01
      2   0.912728D+00  0.116093D+01 -0.866777D-01 -0.694726D+00  0.605624D+00
      3   0.116093D+01  0.670570D+01  0.162952D+01  0.605624D+00 -0.173962D+01
               166           167           168           169           170 
      1   0.194560D+01 -0.701410D+00  0.272660D+00  0.376783D+01  0.805269D+00
      2  -0.701410D+00 -0.920473D+00  0.757734D+00  0.805269D+00  0.120087D+01
      3   0.272660D+00  0.757734D+00 -0.172707D+00 -0.227263D+01 -0.151308D+01
               171           172           173           174           175 
      1  -0.227263D+01 -0.216631D+01 -0.136468D+01 -0.643750D+00 -0.374410D+01
      2  -0.151308D+01 -0.136468D+01 -0.957988D+00  0.210350D-01 -0.298546D+01
      3   0.579826D+01 -0.643750D+00  0.210350D-01 -0.247760D+00 -0.330262D+00
               176           177           178           179           180 
      1  -0.298546D+01 -0.330262D+00 -0.515045D+01 -0.100344D+01 -0.117796D+01
      2  -0.867996D+01 -0.100190D+01 -0.100344D+01 -0.239900D+01 -0.131669D+01
      3  -0.100190D+01 -0.854440D+00 -0.117796D+01 -0.131669D+01 -0.432753D+00
               181           182           183           184           185 
      1   0.229435D+01 -0.775362D+00 -0.127442D+01 -0.173471D+01  0.251260D+00
      2  -0.775362D+00  0.503031D+00 -0.286435D+00  0.251260D+00  0.598795D+00
      3  -0.127442D+01 -0.286435D+00  0.152132D+01 -0.197155D+00 -0.707308D+00
               186           187           188           189           190 
      1  -0.197155D+00 -0.215435D+01 -0.223430D+00  0.104189D+01 -0.141217D+01
      2  -0.707308D+00 -0.223430D+00 -0.105977D+01  0.344718D-01  0.971837D+00
      3   0.128266D+00  0.104189D+01  0.344718D-01 -0.699959D+01  0.141181D+01
               191           192           193           194           195 
      1   0.971837D+00  0.141181D+01  0.472544D+00 -0.542220D+00 -0.230490D-01
      2  -0.921266D+00 -0.322811D+00 -0.542220D+00  0.395528D+00  0.644419D+00
      3  -0.322811D+00 -0.188983D+01 -0.230490D-01  0.644419D+00  0.318136D+00
               196           197           198           199           200 
      1   0.237232D+01 -0.647519D+00 -0.229927D+01 -0.413262D+01  0.327714D+01
      2  -0.647519D+00  0.168416D+01  0.154380D+01  0.327714D+01 -0.302424D+01
      3  -0.229927D+01  0.154380D+01  0.608452D+01 -0.151044D+01  0.105204D+01
               201           202           203           204           205 
      1  -0.151044D+01  0.283020D+01 -0.311786D+01  0.123499D+01 -0.287326D+01
      2   0.105204D+01 -0.311786D+01  0.437089D+01 -0.186696D+01  0.198308D+01
      3  -0.140940D+01  0.123499D+01 -0.186696D+01  0.130864D+01 -0.204728D+01
               206           207           208           209           210 
      1   0.198308D+01 -0.204728D+01  0.801628D+01  0.167689D+01  0.224058D+00
      2  -0.310367D+01  0.186724D+01  0.167689D+01  0.273117D+01  0.158627D+00
      3   0.186724D+01 -0.170793D+01  0.224058D+00  0.158627D+00  0.453119D+00
               211           212           213           214           215 
      1   0.161929D+01  0.156390D+01  0.145459D+00  0.380955D+00  0.310877D-01
      2   0.156390D+01  0.208174D+01 -0.162475D+00  0.310877D-01 -0.355479D+00
      3   0.145459D+00 -0.162475D+00  0.545360D+00  0.122298D+00  0.691627D+00
               216           217           218           219           220 
      1   0.122298D+00 -0.305427D+01 -0.113370D+00  0.183929D+01  0.431907D+00
      2   0.691627D+00 -0.113370D+00 -0.549541D+00  0.377819D+00 -0.100792D+01
      3   0.392814D+00  0.183929D+01  0.377819D+00 -0.193145D+01  0.323295D+00
               221           222           223           224           225 
      1  -0.100792D+01  0.323295D+00  0.464483D+01  0.972654D+00 -0.329982D+01
      2  -0.792089D+00  0.456899D+00  0.972654D+00  0.110730D+01 -0.655249D+00
      3   0.456899D+00 -0.194235D+00 -0.329982D+01 -0.655249D+00  0.520404D+01
               226           227           228           229           230 
      1  -0.929536D-01 -0.806740D+00 -0.393282D+00 -0.253101D+01 -0.263375D+01
      2  -0.806740D+00 -0.411866D+00 -0.520974D-01 -0.263375D+01 -0.780451D+01
      3  -0.393282D+00 -0.520974D-01 -0.401664D+00 -0.759410D+00 -0.249841D+01
               231           232           233           234           235 
      1  -0.759410D+00 -0.121270D+01 -0.632305D+00 -0.132754D+01 -0.646555D+01
      2  -0.249841D+01 -0.632305D+00 -0.259073D+01 -0.172580D+01  0.197552D+01
      3  -0.176932D+01 -0.132754D+01 -0.172580D+01 -0.136221D+01 -0.261273D+01
               236           237           238           239           240 
      1   0.197552D+01 -0.261273D+01  0.544735D+01 -0.211219D+01  0.191210D+01
      2  -0.123985D+01  0.911466D+00 -0.211219D+01  0.162165D+01 -0.146138D+01
      3   0.911466D+00 -0.202390D+01  0.191210D+01 -0.146138D+01  0.155812D+01
               241           242           243           244           245 
      1  -0.460184D+01  0.109594D+01 -0.335331D+01 -0.168858D+00  0.355109D+00
      2   0.109594D+01 -0.157692D+01  0.958795D+00  0.355109D+00  0.740573D+00
      3  -0.335331D+01  0.958795D+00 -0.250287D+01  0.172557D+01  0.353342D+00
               246           247           248           249           250 
      1   0.172557D+01  0.495208D+00  0.130252D+01  0.500961D+00  0.288163D+01
      2   0.353342D+00  0.130252D+01  0.174653D+01  0.120777D+01  0.717214D+00
      3   0.106927D+01  0.500961D+00  0.120777D+01  0.174807D+01  0.171364D+01
               251           252           253           254           255 
      1   0.717214D+00  0.171364D+01 -0.847877D+01 -0.596898D+01  0.105720D+01
      2   0.174153D+01  0.171751D+01 -0.596898D+01  0.171425D+01  0.495348D+00
      3   0.171751D+01  0.518533D+01  0.105720D+01  0.495348D+00  0.894464D+00
               256           257           258           259           260 
      1  -0.174996D+01  0.357065D+01 -0.718514D+00 -0.345439D+01 -0.133364D+01
      2   0.357065D+01 -0.557367D+00 -0.202453D+01 -0.133364D+01 -0.361448D+01
      3  -0.718514D+00 -0.202453D+01  0.286656D+01  0.232051D+01  0.275522D+01
               261           262           263           264           265 
      1   0.232051D+01  0.405261D+01 -0.336575D+01  0.111668D+01 -0.424942D+01
      2   0.275522D+01 -0.336575D+01  0.338568D+01 -0.766359D+00  0.486088D+01
      3   0.265386D+01  0.111668D+01 -0.766359D+00  0.962215D+00 -0.108179D+01
               266           267           268           269           270 
      1   0.486088D+01 -0.108179D+01 -0.994258D+00  0.101373D+01  0.480973D+00
      2  -0.671476D+01  0.134655D+01  0.101373D+01 -0.111309D+01 -0.502592D+00
      3   0.134655D+01 -0.144435D+01  0.480973D+00 -0.502592D+00  0.519442D+00
               271           272           273           274           275 
      1  -0.140690D+01  0.208504D+01  0.858468D-01  0.188818D+01 -0.152487D+01
      2   0.208504D+01 -0.355064D+01  0.289788D+00 -0.152487D+01  0.655126D+01
      3   0.858468D-01  0.289788D+00 -0.763155D+00 -0.536649D-01 -0.127018D-01
               276           277           278           279           280 
      1  -0.536649D-01  0.845750D+00  0.454926D-02 -0.478525D+00  0.361984D+00
      2  -0.127018D-01  0.454926D-02  0.156706D+01  0.492686D+00  0.204862D+00
      3   0.635998D+00 -0.478525D+00  0.492686D+00  0.869848D-03 -0.797022D+00
               281           282           283           284           285 
      1   0.204862D+00 -0.797022D+00 -0.724924D+00 -0.541893D+00  0.106600D+00
      2  -0.510800D+00  0.900110D-01 -0.541893D+00 -0.775375D+00 -0.263864D+00
      3   0.900110D-01 -0.787505D+00  0.106600D+00 -0.263864D+00 -0.128146D+01
               286           287           288           289           290 
      1  -0.161780D+01 -0.326730D+00  0.445766D-01  0.126259D+02  0.536806D+01
      2  -0.326730D+00 -0.139168D+01  0.865391D-01  0.536806D+01  0.349985D+01
      3   0.445766D-01  0.865391D-01 -0.617691D+01 -0.167537D+01 -0.102754D+01
               291           292           293           294           295 
      1  -0.167537D+01  0.340712D+01  0.259460D+01 -0.458622D+00  0.667934D-01
      2  -0.102754D+01  0.259460D+01  0.251714D+01 -0.314416D+00  0.548796D-01
      3   0.129648D+01 -0.458622D+00 -0.314416D+00  0.164437D+00  0.105218D+01
               296           297 
      1   0.548796D-01  0.105218D+01
      2   0.429549D+00  0.372436D+00
      3   0.372436D+00 -0.513879D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.237809D+01  0.525019D+00 -0.259780D+01  0.610919D+01  0.872457D+00
      2  -0.162966D+02  0.179328D+01  0.853604D+01  0.439980D+01 -0.639099D+00
      3  -0.228931D+01 -0.349018D+01 -0.398462D+01  0.132132D+02  0.294698D-01
                 6             7             8             9            10 
      1  -0.278739D+01 -0.536415D+01  0.199721D+01  0.872264D+00 -0.586615D+01
      2  -0.449784D+00  0.559887D+01 -0.137899D+01 -0.514348D+01  0.206653D+02
      3  -0.374325D+01 -0.309780D+01  0.101786D+01  0.494403D+01  0.179362D+01
                11            12            13            14            15 
      1   0.493680D+00  0.186304D+01  0.797400D+00 -0.472135D+01 -0.778532D+01
      2   0.180502D+01 -0.338485D+01 -0.867214D+00  0.150828D+01 -0.233836D+01
      3   0.161804D+01  0.106306D+01  0.128295D+02 -0.718488D+00 -0.888691D+00
                16            17            18            19            20 
      1   0.931915D+01  0.602486D+00  0.391322D+01 -0.108060D+01 -0.613452D+00
      2  -0.250356D+02 -0.203852D+01  0.329883D+01  0.112748D+02  0.310462D+01
      3   0.726235D+01 -0.149862D+01 -0.375060D+01 -0.605638D+01 -0.154144D+01
                21            22            23            24            25 
      1   0.474216D+00 -0.769652D+01 -0.413126D+01 -0.193253D+01  0.112904D+01
      2   0.517618D+01  0.975445D+01  0.426163D+01  0.154903D+01  0.464266D+01
      3  -0.611028D+00  0.108420D+02  0.275733D+01  0.254577D+01 -0.692913D+01
                26            27            28            29            30 
      1   0.227346D+01 -0.189872D+01  0.242752D+01  0.271879D+01  0.435360D+01
      2   0.191425D+01  0.213313D+01 -0.170418D+02 -0.433054D+01 -0.142155D+01
      3  -0.448394D+00 -0.202889D+01 -0.172218D+01 -0.112778D+00  0.172328D+01
                31            32            33            34            35 
      1   0.719208D+01 -0.151305D+01 -0.836556D+01  0.660348D+01  0.589377D+00
      2  -0.868677D+01 -0.587492D+01 -0.187614D+01 -0.266059D+02 -0.240036D+01
      3   0.104125D+02  0.479698D+01 -0.583305D-01  0.397475D+01  0.317884D+01
                36            37            38            39            40 
      1   0.369122D+01 -0.352796D+01 -0.362080D+00 -0.122500D+01  0.441330D+01
      2   0.272354D+01  0.609308D+01  0.497337D+01  0.490539D+01  0.520464D+01
      3  -0.322932D+01 -0.188576D+01 -0.259055D+01 -0.325025D+01  0.953592D+01
                41            42            43            44            45 
      1   0.420903D+01 -0.739717D+00 -0.482463D+00  0.212376D+01  0.237065D+00
      2   0.618110D+00 -0.346050D+00 -0.130998D+02 -0.324209D+01 -0.344808D+00
      3  -0.939954D+00 -0.409587D+01  0.228409D+01 -0.159523D+01  0.342430D+01
                46            47            48            49            50 
      1   0.489101D+01 -0.191772D+01 -0.964072D+00 -0.706503D+01 -0.132980D+01
      2  -0.837610D+01 -0.199329D+01  0.433458D+01 -0.494937D+01  0.763403D+00
      3  -0.427347D+01 -0.150128D+01 -0.581195D+00  0.972784D+01  0.263172D+01
                51            52            53            54            55 
      1  -0.205356D+01  0.454004D+01  0.327610D+01 -0.409007D+00  0.518217D+01
      2   0.318006D+01 -0.101445D+02 -0.116836D+01  0.349113D-01 -0.106052D+02
      3   0.361314D+01 -0.681803D+01  0.473271D+00 -0.176491D+01 -0.124160D+02
                56            57            58            59            60 
      1  -0.142043D+01  0.116100D+01 -0.375382D+01  0.660577D+01 -0.132717D+01
      2   0.142781D+01 -0.260997D+01  0.480000D+01 -0.101250D+02 -0.610409D+00
      3   0.251820D+01 -0.268041D+01  0.272463D+02  0.155085D+02  0.737138D+01
                61            62            63            64            65 
      1   0.512344D+01  0.376440D+01 -0.572850D+01 -0.527189D+01  0.628446D+00
      2  -0.271364D+02 -0.344590D+01  0.168856D+02  0.462933D+01 -0.383872D+01
      3  -0.952072D+01  0.921754D+01 -0.206203D+01  0.250352D+02 -0.800854D+01
                66            67            68            69            70 
      1  -0.284711D+00  0.840273D+00  0.101317D+01 -0.181106D+01 -0.443506D+01
      2   0.173584D+02 -0.115323D+02  0.936233D+01  0.334080D+00  0.204456D+02
      3   0.584970D+01 -0.894414D+01 -0.167947D+02 -0.825069D+01  0.120040D+02
                71            72            73            74            75 
      1   0.499714D+01 -0.559174D+00 -0.161582D+00  0.296247D+01 -0.567686D+01
      2  -0.663628D+00 -0.305275D+02 -0.165105D+01  0.717264D+01 -0.975906D+01
      3  -0.102371D+02  0.267803D+01 -0.293307D+02 -0.862124D+01 -0.527216D+01
                76            77            78            79            80 
      1   0.388351D+01 -0.708243D+01  0.505319D+00 -0.804206D+01  0.645675D+01
      2   0.926975D+01 -0.995873D+01  0.466130D+01 -0.187499D+02  0.740070D+01
      3  -0.260582D+01  0.821853D+01  0.703955D+01 -0.648953D+01  0.104605D+02
                81            82            83            84            85 
      1   0.813435D+01  0.236749D+01 -0.129514D+01  0.343819D+01 -0.256157D+01
      2   0.174412D+02 -0.246694D+01  0.723987D+01 -0.180923D+02  0.969834D+01
      3  -0.189529D+01 -0.209122D+02  0.508479D+01 -0.957195D+01  0.228545D+02
                86            87            88            89            90 
      1  -0.152538D+00 -0.344096D+01  0.537615D+01  0.187346D+00 -0.179898D+01
      2  -0.193442D+02 -0.114710D+01 -0.342291D+02 -0.364297D+01  0.198585D+02
      3   0.284517D+02  0.218215D+02 -0.106614D+02  0.205923D+02 -0.216175D+01
                91            92            93            94            95 
      1  -0.207821D+01 -0.546232D+00  0.221936D+01  0.133592D+01 -0.678277D+00
      2   0.155117D+01  0.194074D+01  0.566744D+00  0.241326D+01  0.594965D+01
      3  -0.133259D+02  0.255846D+01 -0.133401D+01  0.358390D+02 -0.235999D+01
                96            97            98            99           100 
      1  -0.824714D+00  0.572814D+01  0.794057D+01  0.273381D+01  0.282054D+01
      2  -0.989936D+01 -0.162585D+02 -0.122245D+02 -0.111584D+02  0.172067D+01
      3  -0.424833D+01 -0.257568D+01 -0.738870D+01  0.899994D+01  0.257879D+02
               101           102           103           104           105 
      1   0.321137D+01 -0.647157D+01 -0.113935D+01  0.112852D+01 -0.364048D+01
      2  -0.788018D+00 -0.685229D+00 -0.859627D+00 -0.185150D+01  0.167882D+02
      3  -0.107711D+02  0.205417D+01 -0.123150D+01 -0.370911D+01 -0.102814D+01
               106           107           108           109           110 
      1  -0.390740D+01 -0.606787D+01  0.175326D+01 -0.222677D+01 -0.342490D+01
      2  -0.911952D+01  0.101407D+02  0.173790D+02 -0.103290D+02  0.905003D+00
      3   0.120826D+02 -0.836721D+01 -0.895412D+01 -0.257027D+01 -0.470485D+01
               111           112           113           114           115 
      1   0.315541D+01 -0.100713D+01  0.113302D+01 -0.314051D+01  0.458002D+00
      2   0.113120D+02 -0.476038D+00 -0.791166D+01 -0.106705D+02  0.744202D+01
      3  -0.521035D+00 -0.645196D+01  0.942119D+01  0.887224D+01 -0.129229D+02
               116           117           118           119           120 
      1   0.842400D+01 -0.624586D+01  0.282271D+01 -0.108506D+01  0.774366D+00
      2  -0.491617D+01 -0.367420D+02  0.515975D+01 -0.265087D+00  0.262442D+01
      3   0.149274D+02  0.741971D+01 -0.986224D+01  0.926264D+01 -0.284790D+01
               121           122           123           124           125 
      1  -0.141132D+01  0.259757D+01 -0.193756D+01 -0.325839D+01  0.733436D+01
      2   0.305980D+01  0.614395D+01 -0.281304D+01  0.557221D+00 -0.541190D+01
      3   0.114075D+02 -0.111897D+02 -0.360509D+01  0.401674D+01 -0.799195D+01
               126           127           128           129           130 
      1   0.480340D+01 -0.477999D+00  0.130951D+01 -0.428004D+00 -0.938921D+00
      2   0.181669D+02 -0.409308D+01 -0.632283D+00 -0.542614D+00 -0.191445D+01
      3   0.658924D+01  0.242944D+01 -0.182798D+00  0.657938D+00  0.303073D+01
               131           132           133           134           135 
      1   0.344138D+00 -0.314064D+01 -0.949658D+00  0.221018D+01 -0.251406D+01
      2   0.184437D+00  0.425859D+00 -0.309083D+01  0.476591D+00  0.212217D+01
      3  -0.100061D+01  0.210543D+00  0.194169D+01 -0.163023D+01 -0.384486D+00
               136           137           138           139           140 
      1  -0.125933D+01 -0.183488D+01  0.182599D+01 -0.224651D+00  0.137604D+00
      2   0.638002D+01 -0.298404D+00 -0.998741D+00  0.812489D+00  0.142892D+00
      3  -0.284337D+01 -0.883824D+00  0.133945D+01  0.408774D+00  0.690358D+00
               141           142           143           144           145 
      1  -0.163015D+01  0.699285D+00  0.292905D+01 -0.110506D+01  0.143511D+01
      2  -0.853762D+00 -0.473333D+01  0.224812D+00 -0.127037D+01 -0.455998D+01
      3  -0.241921D+00  0.172031D+01  0.157105D+01 -0.999253D+00  0.759789D+00
               146           147           148           149           150 
      1   0.242537D+01  0.577390D+00  0.183175D+00  0.132463D+01 -0.140071D+01
      2  -0.156850D+01 -0.110304D+01 -0.281318D+01 -0.593925D+00 -0.452090D+00
      3  -0.660477D+00  0.843425D-01  0.175340D+01 -0.654542D+00 -0.168216D+00
               151           152           153           154           155 
      1   0.674589D+00  0.430926D+01  0.335281D+00  0.148370D+00 -0.204977D+01
      2  -0.381059D+01 -0.537309D+00  0.605965D+00  0.613112D+01 -0.498083D+00
      3   0.693687D+00 -0.213727D+01 -0.916144D+00 -0.109560D+01 -0.120613D+01
               156           157           158           159           160 
      1   0.619183D+00  0.294293D+00  0.623588D+00 -0.966999D+00 -0.135635D+01
      2  -0.969058D+00  0.326581D+00 -0.123043D-01 -0.104267D+01 -0.510489D+01
      3   0.564052D+00  0.143858D+01  0.400962D+00  0.124003D+00 -0.183626D-01
               161           162           163           164           165 
      1   0.380815D+01  0.126866D+01  0.175260D+01 -0.310524D+00 -0.192208D+01
      2   0.419402D+00 -0.990559D+00 -0.452977D+01 -0.200096D+01  0.653984D+01
      3   0.186186D+01 -0.486097D+00  0.276221D+01 -0.311571D+01  0.268491D-01
               166           167           168           169           170 
      1   0.812373D+00  0.251235D+00 -0.979266D+00 -0.202385D+01  0.151251D+01
      2  -0.221039D+01 -0.152524D+01  0.155055D+00  0.147987D+01  0.409549D+01
      3  -0.137192D+01 -0.210145D+01  0.162712D+01 -0.153105D+01  0.365633D+01
               171           172           173           174           175 
      1   0.705920D+01 -0.118890D+01 -0.302908D+00 -0.921299D+00 -0.140702D+01
      2  -0.181248D+02  0.423628D+01  0.756356D+00  0.243378D+01  0.293061D+01
      3  -0.118203D+01 -0.162066D+01 -0.266737D+01  0.409961D+00 -0.248949D+01
               176           177           178           179           180 
      1  -0.474378D+01 -0.401751D+01 -0.199360D+01 -0.187031D+01 -0.133427D+01
      2   0.642134D+01  0.344355D+01  0.455155D+01  0.478514D+01  0.107143D+01
      3  -0.238710D+02 -0.218833D+01  0.168215D+01 -0.698724D+01 -0.239455D+01
               181           182           183           184           185 
      1   0.188473D+01 -0.123481D+01  0.111285D+00 -0.408968D+00 -0.646810D+00
      2   0.105202D+02  0.357166D+00 -0.707705D+01 -0.536772D+00  0.326831D+01
      3  -0.339587D+01  0.133758D+01 -0.724200D+00  0.339022D+01  0.232692D+01
               186           187           188           189           190 
      1  -0.605929D+00 -0.330224D+00  0.307088D+01  0.369828D+00 -0.282089D+01
      2  -0.303019D+00 -0.107938D+02 -0.833775D-01  0.295162D+02 -0.514205D+01
      3  -0.265489D+01 -0.784876D+00 -0.348909D+01  0.188779D+00  0.252616D+01
               191           192           193           194           195 
      1  -0.248079D+00  0.378884D+01  0.118854D+00 -0.110514D+01 -0.169711D+01
      2   0.124543D+01  0.801942D+01 -0.664673D-02 -0.218295D+01 -0.812492D+00
      3  -0.341655D+01  0.584434D+00 -0.943391D-01  0.551227D+00  0.212725D+01
               196           197           198           199           200 
      1   0.417614D+01  0.458110D+00 -0.120094D+02  0.279740D+01 -0.152568D+01
      2   0.509914D+01 -0.578938D+01 -0.244878D+02  0.613599D+01 -0.457687D+01
      3   0.160442D+01  0.705538D+01  0.321432D+01  0.641479D+01 -0.931472D+01
               201           202           203           204           205 
      1   0.416667D+01 -0.317155D+01  0.296246D+01 -0.421395D+01  0.405919D+01
      2   0.743797D+01 -0.486077D+01  0.789055D+01 -0.656770D+01  0.727670D+01
      3   0.184705D+01 -0.464641D+01  0.138662D+02 -0.514678D+01  0.281390D+01
               206           207           208           209           210 
      1  -0.170136D+01  0.384747D+01 -0.194296D+01 -0.226179D+00 -0.209494D+01
      2  -0.772967D+01  0.735228D+01 -0.266907D+01 -0.933348D+00 -0.770899D+00
      3  -0.105352D+02  0.455841D+01  0.266439D+02  0.123898D+02  0.147682D+01
               211           212           213           214           215 
      1  -0.848840D+00  0.508531D+00 -0.179973D+01 -0.186026D+01  0.230343D+00
      2  -0.107183D+01  0.442056D+00 -0.934424D+00 -0.367389D+01 -0.211210D+01
      3   0.123596D+02  0.969729D+01 -0.269315D+00  0.174110D+01 -0.127749D+01
               216           217           218           219           220 
      1  -0.109138D+01  0.140403D+01 -0.782856D-01 -0.183173D+01  0.653601D+00
      2  -0.154122D+01 -0.115531D+02 -0.224110D+01  0.130792D+02 -0.176630D+01
      3   0.308935D+01  0.141776D+01 -0.412216D+01  0.735521D+00 -0.408184D+01
               221           222           223           224           225 
      1   0.509811D+00 -0.116292D+01 -0.228606D+01  0.160674D+01  0.406257D+01
      2  -0.272667D+01  0.139731D+01  0.170995D+02  0.376144D+01 -0.318539D+02
      3  -0.352446D+01  0.191910D+01  0.179805D+01  0.645160D+01 -0.898983D+00
               226           227           228           229           230 
      1   0.454333D+00  0.275181D+00 -0.325509D+00  0.761552D+00  0.354836D+01
      2   0.249142D+01 -0.212469D+00  0.241261D+01  0.187604D+01  0.128955D+02
      3  -0.481015D+01 -0.262695D+01 -0.141763D+00 -0.865330D+01 -0.409741D+02
               231           232           233           234           235 
      1  -0.240608D+01 -0.551210D+00  0.146220D+01 -0.608173D+00 -0.292179D+01
      2   0.100573D+02  0.493162D+01  0.909711D+01  0.651018D+01  0.100764D+02
      3  -0.130721D+02 -0.194533D+01 -0.141660D+02 -0.812253D+01  0.143710D+02
               236           237           238           239           240 
      1   0.216012D+01 -0.132286D+01  0.224842D+01 -0.273462D+01  0.726471D+00
      2  -0.391135D+01  0.121829D+02 -0.716654D+01  0.715858D+01 -0.862159D+01
      3  -0.105816D+02  0.680297D+01 -0.130166D+02  0.112760D+02 -0.926862D+01
               241           242           243           244           245 
      1  -0.229438D+01  0.324432D+01 -0.148270D+01 -0.185856D+01 -0.918237D-01
      2   0.145249D+02 -0.476941D+01  0.125877D+02  0.602491D+01  0.144496D+01
      3   0.839214D+01 -0.107303D+02  0.734184D+01 -0.121750D+01 -0.276716D+01
               246           247           248           249           250 
      1  -0.119505D+01 -0.624085D+00 -0.158379D+00 -0.246450D+01 -0.121579D+01
      2   0.338443D+01  0.146526D+01  0.314077D+01  0.568044D+01  0.543213D+00
      3   0.171819D+00 -0.205031D+01 -0.409955D+01 -0.303058D+01  0.132627D+00
               251           252           253           254           255 
      1   0.128066D+01 -0.519850D+01  0.324516D+01 -0.347855D+01 -0.428414D+01
      2   0.507693D+01  0.161584D+02 -0.555491D+01 -0.458234D+01  0.709923D+01
      3  -0.440428D+01 -0.408169D+01  0.241016D+01 -0.199118D+02  0.350815D-02
               256           257           258           259           260 
      1  -0.605865D+00  0.718264D+01 -0.678590D+01 -0.433908D+01 -0.116319D+01
      2  -0.710579D+01 -0.577503D+01  0.100730D+02  0.804295D+01  0.105913D+02
      3  -0.168685D+02  0.734861D+01  0.666714D+01  0.171211D+01  0.104796D+02
               261           262           263           264           265 
      1  -0.111543D+02 -0.223857D+01  0.265266D+01  0.117302D+01  0.373788D+01
      2   0.115367D+02  0.943673D+00 -0.421982D+00  0.375867D+01 -0.598427D+00
      3  -0.642910D+01  0.873208D+01 -0.113038D+02  0.302178D+01 -0.140214D+02
               266           267           268           269           270 
      1  -0.519218D+01 -0.157669D+01  0.338775D+00 -0.278280D+00 -0.943267D+00
      2   0.136188D+01 -0.571218D+01  0.132769D+01 -0.193157D+01  0.995318D+00
      3   0.244666D+02 -0.457420D+01 -0.320258D+01  0.427608D+01  0.163255D+01
               271           272           273           274           275 
      1  -0.257934D+01  0.261024D+01  0.319422D+01  0.190831D+01 -0.604077D+01
      2  -0.161422D+01  0.254338D+01 -0.138310D+01  0.186231D+01 -0.217296D+01
      3  -0.119456D+02  0.138982D+02  0.889073D-02  0.111818D+02 -0.231540D+02
               276           277           278           279           280 
      1  -0.330197D+01  0.210134D+01 -0.102861D+01 -0.947864D+00  0.254073D+01
      2   0.951072D+00 -0.220913D+01  0.948130D+00 -0.465398D+00 -0.408578D+01
      3  -0.398180D+00  0.228223D+01 -0.461015D+01 -0.269862D+01 -0.483676D+00
               281           282           283           284           285 
      1   0.130202D+01  0.195394D+01  0.125179D+01  0.353821D+01  0.267616D+01
      2  -0.398595D+00 -0.310618D+01 -0.231447D+01 -0.180075D+01 -0.454516D+01
      3   0.140920D+01 -0.134948D+01  0.178444D+01  0.158731D+01  0.824004D+00
               286           287           288           289           290 
      1   0.112519D+01  0.467290D+01  0.141813D+02 -0.105052D+01 -0.122838D+01
      2  -0.413416D+01 -0.669577D+00 -0.200109D+02  0.434077D+01  0.315856D+00
      3  -0.163372D+01  0.342616D+01 -0.480141D+00  0.635118D+01 -0.475453D+01
               291           292           293           294           295 
      1  -0.330409D+01 -0.148347D+01 -0.179396D+01 -0.114056D+01 -0.214016D+01
      2   0.591113D+01  0.186357D+01  0.981336D+00  0.129957D+01  0.231200D+01
      3   0.907516D+00 -0.673905D+00 -0.431559D+01 -0.189270D-01 -0.780312D-02
               296           297 
      1   0.127877D+00  0.130329D+01
      2   0.604019D+00 -0.152891D+01
      3  -0.115139D+01  0.840064D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.578263D+01 -0.378668D+01 -0.180748D+02  0.114127D+02 -0.119573D+02
      2   0.634228D+00 -0.528287D+00  0.297788D+01 -0.946513D+00  0.188531D+02
      3   0.514841D+01  0.431497D+01  0.150970D+02 -0.104662D+02 -0.689581D+01
      4  -0.681257D+01 -0.280138D+01 -0.791494D+01  0.175162D+01 -0.703922D+00
      5  -0.174132D+02 -0.694128D+01  0.822296D-01 -0.775946D+01 -0.187137D+01
      6  -0.968526D+01 -0.958365D+00 -0.457297D+00 -0.306451D+01  0.737258D+00
                 6             7             8             9            10 
      1  -0.406186D+01  0.294784D+02  0.120800D+02  0.147851D+02  0.589643D+02
      2   0.831408D+01 -0.775140D+01 -0.240620D+01 -0.613529D+01 -0.224176D+02
      3  -0.425222D+01 -0.217270D+02 -0.967385D+01 -0.864983D+01 -0.365467D+02
      4  -0.109743D+01  0.574351D+01  0.140705D+01 -0.423588D+01  0.721655D+01
      5  -0.705234D+01  0.133544D+02 -0.382480D+01 -0.486198D+01  0.862824D+01
      6   0.128930D+01 -0.588596D+01 -0.460387D+01 -0.114699D+02  0.118778D+01
                11            12            13            14            15 
      1   0.558969D+01  0.427341D+01  0.216060D+01 -0.218709D+01 -0.679149D+01
      2  -0.101099D+01  0.300810D+01  0.386932D+01  0.806349D+01  0.255450D+01
      3  -0.457869D+01 -0.728151D+01 -0.602993D+01 -0.587640D+01  0.423699D+01
      4   0.136966D+01  0.386914D+01  0.156719D+02  0.435465D+01  0.118077D+00
      5   0.500893D+01  0.721126D+01 -0.831379D+01  0.658481D+00  0.200618D+01
      6   0.112472D+01  0.214915D+01 -0.769371D+01 -0.518761D+01  0.873282D+01
                16            17            18            19            20 
      1   0.941047D+01 -0.714455D+01 -0.166106D+02  0.438997D+01  0.109148D+02
      2  -0.488126D+01 -0.373130D+01  0.119301D+01  0.420475D+01 -0.828100D+01
      3  -0.452921D+01  0.108759D+02  0.154176D+02 -0.859472D+01 -0.263383D+01
      4  -0.115924D+02  0.104148D+00 -0.100837D+01  0.216581D+01  0.513986D+01
      5  -0.121451D+02 -0.208343D+00 -0.223625D+01  0.178979D+02  0.288559D+01
      6  -0.282322D+01  0.221406D+01  0.536820D+01  0.696775D+01 -0.156358D+01
                21            22            23            24            25 
      1   0.192720D+02 -0.101833D+02 -0.267631D+01  0.157971D+02 -0.226489D+02
      2  -0.886756D+01 -0.216405D+01  0.509608D+01 -0.262648D+00  0.402021D+01
      3  -0.104045D+02  0.123473D+02 -0.241977D+01 -0.155345D+02  0.186287D+02
      4   0.400931D+01  0.696154D+01 -0.701040D+01 -0.761407D+00 -0.238000D+01
      5  -0.529900D+01  0.990285D+01  0.126405D+01  0.382403D+00  0.992142D+01
      6  -0.513629D+01  0.403410D+01 -0.349022D+00  0.387760D+01  0.133443D+02
                26            27            28            29            30 
      1   0.345234D+01  0.611287D+01  0.174467D+02  0.239522D+01 -0.420281D+01
      2  -0.622712D+00  0.138443D+01 -0.255828D+01  0.658889D+00 -0.937540D+00
      3  -0.282963D+01 -0.749729D+01 -0.148884D+02 -0.305411D+01  0.514035D+01
      4  -0.440691D+00  0.752866D+01  0.644680D+01  0.415335D+01  0.839356D+00
      5   0.670738D+01  0.631177D+01 -0.353975D+01  0.706720D+00  0.825082D+01
      6   0.584850D+01 -0.745507D+01 -0.840474D+01  0.124311D+01  0.337179D+01
                31            32            33            34            35 
      1  -0.689694D+01 -0.977987D+00 -0.810057D+01  0.335741D+01 -0.547089D+01
      2   0.690861D+01  0.553566D+01  0.346444D+00 -0.647075D+01 -0.637483D+01
      3  -0.116694D-01 -0.455767D+01  0.775412D+01  0.311333D+01  0.118457D+02
      4   0.190363D+02  0.800290D+00 -0.313836D+01 -0.115671D+02 -0.763197D+01
      5  -0.143640D+02 -0.278261D+01  0.290347D+01 -0.129978D+02  0.780850D-01
      6  -0.254117D+01 -0.374729D+01  0.789300D+01 -0.650951D+01  0.161678D+01
                36            37            38            39            40 
      1  -0.203085D+02  0.808034D+01 -0.152046D+01 -0.223591D+02  0.393782D+01
      2   0.447187D+01 -0.810082D+01 -0.174039D+01  0.223229D+01  0.511265D+01
      3   0.158367D+02  0.204811D-01  0.326085D+01  0.201268D+02 -0.905047D+01
      4   0.706459D+00 -0.818191D+01 -0.519412D+01 -0.861705D+01  0.103929D+02
      5   0.155854D+01 -0.579286D+01 -0.597849D+01 -0.520212D+01 -0.478996D+01
      6   0.634433D+01 -0.513878D+01  0.371296D+00 -0.526050D+01 -0.291871D+01
                41            42            43            44            45 
      1  -0.102414D+02  0.587318D+00  0.241554D+02  0.900323D+01  0.887647D+01
      2   0.140415D+02  0.761734D+01 -0.184860D+01  0.246787D+01 -0.547659D+01
      3  -0.380012D+01 -0.820466D+01 -0.223068D+02 -0.114711D+02 -0.339989D+01
      4   0.678026D+00 -0.153701D+01 -0.111050D+01  0.523573D+01 -0.491159D+01
      5  -0.100002D+01 -0.114211D+02  0.598604D+01 -0.578361D+01 -0.398987D+01
      6   0.372009D+01  0.512213D+01 -0.897177D+01 -0.413836D+01 -0.130693D+02
                46            47            48            49            50 
      1  -0.392696D+01  0.709639D+01  0.185900D+02 -0.250537D+02 -0.495463D+01
      2   0.821861D+01 -0.329421D+01 -0.763603D+01  0.805089D+01  0.356108D+01
      3  -0.429166D+01 -0.380218D+01 -0.109540D+02  0.170028D+02  0.139355D+01
      4  -0.201001D+01  0.749043D+01  0.318219D+01  0.979894D+01 -0.383184D+01
      5   0.934246D+01  0.179120D+00 -0.101791D+02  0.297419D+01 -0.282596D+01
      6   0.292350D+01 -0.411126D+01 -0.672876D+01  0.573435D+00 -0.156540D+01
                51            52            53            54            55 
      1   0.197286D+02 -0.317149D+02  0.284462D+01 -0.125406D+01 -0.584917D+02
      2   0.120830D+01  0.437667D+01  0.722845D+00  0.424530D+01  0.243380D+02
      3  -0.209369D+02  0.273382D+02 -0.356747D+01 -0.299125D+01  0.341537D+02
      4  -0.762066D+00 -0.587286D+01 -0.165338D+01  0.554512D+01  0.653182D+01
      5   0.231849D+01 -0.845396D+00  0.529152D+01  0.864901D+01 -0.892076D+01
      6   0.991175D+01  0.993502D+01  0.661942D+01 -0.101855D+02 -0.181499D+01
                56            57            58            59            60 
      1   0.861810D+01 -0.639340D+01  0.471431D+02 -0.173520D+01  0.129649D+02
      2  -0.548515D+01  0.191969D+00 -0.341910D+02 -0.170304D+02 -0.110694D+02
      3  -0.313295D+01  0.620143D+01 -0.129520D+02  0.187656D+02 -0.189549D+01
      4  -0.101384D+02  0.465801D+01 -0.284270D+02 -0.396678D+02 -0.111700D+02
      5   0.417411D+01 -0.151130D+02  0.124298D+02 -0.113788D+02 -0.923480D+00
      6   0.107873D+01 -0.360368D+01 -0.129697D+00 -0.628124D+01 -0.112214D+01
                61            62            63            64            65 
      1  -0.386738D+02  0.989438D+01 -0.148809D+02 -0.802181D+01 -0.374224D+02
      2   0.993009D+01 -0.116481D+02  0.127036D+02  0.972824D+01  0.186401D+02
      3   0.287437D+02  0.175371D+01  0.217728D+01 -0.170643D+01  0.187823D+02
      4   0.727060D+01 -0.176248D+02 -0.787568D+01 -0.414584D+02  0.666737D+01
      5  -0.335286D+02 -0.744639D+01  0.344917D+02 -0.443533D+01 -0.116126D+02
      6  -0.660444D+01 -0.367655D+01  0.880540D+01 -0.324672D+01 -0.243830D+01
                66            67            68            69            70 
      1  -0.943936D+01 -0.852169D+02  0.121298D+02 -0.147170D+02  0.152883D+02
      2   0.422678D+00  0.449889D+02 -0.664668D+01  0.651402D+01 -0.732352D+01
      3   0.901668D+01  0.402280D+02 -0.548308D+01  0.820301D+01 -0.796481D+01
      4  -0.104410D+02  0.149707D+02  0.367443D+02  0.160145D+02 -0.131026D+02
      5   0.238568D+02 -0.233307D+02  0.170789D+02 -0.193180D+01  0.449599D+02
      6  -0.158544D+01  0.274314D+01 -0.513933D+00  0.283837D+00 -0.129259D+00
                71            72            73            74            75 
      1  -0.925496D+01  0.456377D+02  0.366387D+02  0.361204D+02 -0.255059D+01
      2   0.280839D+01 -0.127633D+02 -0.301505D+02 -0.158382D+02 -0.394445D+01
      3   0.644657D+01 -0.328744D+02 -0.648817D+01 -0.202822D+02  0.649505D+01
      4   0.190096D+02 -0.104656D+01  0.318616D+02 -0.196484D+02  0.125820D+02
      5  -0.230991D+00 -0.458623D+02 -0.470439D+01  0.127730D+02 -0.239024D+02
      6   0.484347D+01  0.415980D+00  0.733853D+01 -0.428020D+01  0.115076D+02
                76            77            78            79            80 
      1   0.431664D+02 -0.169246D+02  0.655275D+01 -0.717067D+01  0.877714D+01
      2  -0.189759D+02  0.115378D+02  0.343567D+01 -0.545553D+01  0.360667D+01
      3  -0.241904D+02  0.538676D+01 -0.998842D+01  0.126262D+02 -0.123838D+02
      4  -0.244090D+02 -0.111812D+02 -0.237741D+02  0.160209D+02 -0.322129D+02
      5   0.156169D+02 -0.224873D+02  0.885695D+01 -0.356121D+02  0.154413D+02
      6  -0.820941D+01  0.121139D+02 -0.352163D+01  0.135592D+02 -0.766822D+01
                81            82            83            84            85 
      1  -0.267056D+02  0.226259D+02  0.433170D+02  0.939850D+00  0.655322D+02
      2   0.158751D+02 -0.592581D+01 -0.246559D+02  0.284457D+01 -0.387236D+02
      3   0.108305D+02 -0.167001D+02 -0.186610D+02 -0.378442D+01 -0.268086D+02
      4   0.222579D+02  0.469678D+02 -0.608245D+01  0.191221D+02 -0.227834D+02
      5   0.371860D+02 -0.311876D+01  0.210783D+02 -0.397422D+02  0.287542D+02
      6  -0.115770D+02  0.606383D+01 -0.991863D+00 -0.631437D+00 -0.563761D+01
                86            87            88            89            90 
      1  -0.924291D+01  0.279506D+02 -0.717236D+01  0.237842D+02 -0.553275D+02
      2  -0.284291D+00 -0.195462D+02  0.671212D+01 -0.169309D+02  0.278247D+02
      3   0.952720D+01 -0.840448D+01  0.460239D+00 -0.685333D+01  0.275028D+02
      4  -0.501885D+02 -0.360819D+02  0.216302D+02 -0.337672D+02 -0.365799D+01
      5  -0.389216D+02  0.353960D+01 -0.618478D+02 -0.204309D+01  0.327122D+02
      6  -0.124555D+02 -0.746625D+01 -0.224013D+01 -0.752709D+01  0.513917D+01
                91            92            93            94            95 
      1   0.211333D+01  0.169137D+02 -0.754261D+01  0.341348D+02 -0.157137D+02
      2  -0.121075D+01 -0.121209D+02  0.494563D+01 -0.205007D+02  0.498524D+01
      3  -0.902587D+00 -0.479274D+01  0.259699D+01 -0.136342D+02  0.107284D+02
      4   0.134850D+02 -0.111229D+02  0.128170D+01 -0.446896D+02 -0.168613D+01
      5  -0.613048D+01  0.131205D+01 -0.623833D+01  0.869492D+01  0.569591D+01
      6   0.987894D+00  0.115029D+01 -0.565703D+01  0.579295D+01  0.740248D+01
                96            97            98            99           100 
      1  -0.157414D+01 -0.134452D+01 -0.358017D+01  0.229118D+01 -0.877080D+01
      2   0.350667D+01  0.804874D+01  0.107056D+02 -0.285836D+01  0.722718D+01
      3  -0.193252D+01 -0.670422D+01 -0.712539D+01  0.567180D+00  0.154362D+01
      4   0.593000D+01  0.103370D+02  0.162761D+02 -0.242795D+02  0.417940D+01
      5  -0.187371D+02 -0.128655D+02 -0.232053D+02 -0.235040D+02  0.163307D+02
      6  -0.100082D+02 -0.130182D+02 -0.122936D+02 -0.852269D+01 -0.103516D+01
               101           102           103           104           105 
      1  -0.503961D+01  0.103967D+02  0.810966D+01  0.189580D+02 -0.323055D+01
      2   0.346626D+01 -0.713650D+01 -0.101499D+02 -0.644533D+01  0.240862D+01
      3   0.157334D+01 -0.326022D+01  0.204027D+01 -0.125127D+02  0.821927D+00
      4   0.915091D+01 -0.185124D+01  0.198115D+02 -0.112849D+02 -0.341641D-02
      5  -0.118915D+01 -0.164117D+02 -0.261520D+01  0.307677D+00  0.313114D+02
      6   0.433226D+00  0.829608D+01 -0.245739D+01  0.224133D+01 -0.709907D+01
               106           107           108           109           110 
      1   0.350101D+02 -0.101188D+02 -0.167435D+02  0.473162D+02 -0.908095D+01
      2  -0.153592D+02  0.867127D-01  0.152829D+02 -0.270662D+02  0.411771D+01
      3  -0.196509D+02  0.100321D+02  0.146065D+01 -0.202500D+02  0.496324D+01
      4  -0.201039D+02  0.160999D+02  0.212064D+02 -0.157987D+02  0.119220D+02
      5  -0.367844D+02  0.214011D+02  0.285933D+02 -0.378752D+02  0.320616D+01
      6   0.116561D+02 -0.135966D+02 -0.483198D+01  0.722481D+01 -0.327856D+01
               111           112           113           114           115 
      1  -0.274375D+02 -0.162833D+02  0.963311D+00  0.121210D+00 -0.571106D+02
      2   0.182250D+02  0.542424D+01  0.391888D+01 -0.539631D+00  0.317338D+02
      3   0.921242D+01  0.108591D+02 -0.488219D+01  0.418421D+00  0.253769D+02
      4   0.578327D+01  0.194755D+02 -0.157585D+02 -0.178914D+02  0.238795D+02
      5   0.306286D+02  0.990675D+01 -0.184795D+02 -0.206904D+02  0.481187D+02
      6  -0.588347D+01 -0.382678D+01  0.874448D+01  0.144614D+02 -0.744704D+01
               116           117           118           119           120 
      1   0.699942D+01  0.139720D+02  0.411208D+01  0.971406D+01  0.138968D+02
      2  -0.220053D+01 -0.242624D+02 -0.112792D+02  0.329194D+01 -0.101862D+02
      3  -0.479889D+01  0.102903D+02  0.716712D+01 -0.130060D+02 -0.371059D+01
      4  -0.298498D+02 -0.141676D+02  0.183079D+02 -0.244336D+02  0.338380D+00
      5  -0.138650D+02 -0.764556D+02  0.121627D+02  0.375460D+01  0.103371D+02
      6   0.149345D+02  0.196496D+02 -0.418705D+00 -0.213753D+01 -0.104288D+01
               121           122           123           124           125 
      1   0.173666D+02 -0.308882D+02  0.857236D+01  0.289436D+02  0.149272D+01
      2   0.190389D+01  0.843936D+01 -0.503565D+01 -0.165648D+02 -0.289737D+01
      3  -0.192704D+02  0.224488D+02 -0.353671D+01 -0.123788D+02  0.140465D+01
      4  -0.303422D+02  0.358038D+02  0.532951D+01 -0.151156D+02  0.176753D+02
      5   0.243045D+01  0.490336D+01 -0.597872D+01  0.299377D+02 -0.177526D+02
      6  -0.146605D+01 -0.452779D+01  0.886860D+01 -0.861138D+01  0.147172D+02
               126           127           128           129           130 
      1   0.399868D+01  0.360183D+00 -0.283359D+01 -0.205086D+01 -0.706297D+00
      2  -0.133163D+02 -0.100403D+01  0.243737D+01 -0.570966D-01 -0.584182D-01
      3   0.931759D+01  0.643846D+00  0.396217D+00  0.210795D+01  0.764716D+00
      4  -0.148717D+02  0.423473D+01  0.448776D+01  0.449754D+01  0.414556D+01
      5   0.422600D+02  0.770094D+01  0.481299D+01  0.857784D+01  0.616794D+01
      6  -0.147657D+02  0.539170D+01  0.446241D+01  0.595791D+01  0.489804D+01
               131           132           133           134           135 
      1  -0.764380D+01 -0.847013D+01 -0.367584D+01 -0.115634D+02 -0.196257D+02
      2   0.449202D+01  0.148901D+01 -0.124612D+01  0.470474D+01 -0.273796D+00
      3   0.315178D+01  0.698112D+01  0.492196D+01  0.685870D+01  0.198995D+02
      4   0.514362D+01  0.402949D+01  0.421319D+01  0.417892D+01  0.498830D+01
      5   0.567880D+01  0.810066D+01  0.967830D+01  0.664607D+01  0.144803D+02
      6   0.907489D+01  0.104066D+02  0.674095D+01  0.126789D+02  0.178303D+02
               136           137           138           139           140 
      1   0.359205D+01 -0.280913D-01  0.199706D+01  0.104848D+01 -0.234726D+01
      2  -0.525628D+01  0.515530D+00  0.358507D+01  0.876615D+00  0.533491D+00
      3   0.166423D+01 -0.487438D+00 -0.558212D+01 -0.192510D+01  0.181376D+01
      4  -0.430518D+01  0.297812D+01  0.254145D+01  0.266797D+01 -0.168912D+01
      5  -0.945856D+01  0.144844D+01  0.907666D+01  0.233578D+01 -0.239338D+01
      6   0.101776D+01 -0.194231D+01 -0.124878D+01 -0.188644D+01  0.255385D+01
               141           142           143           144           145 
      1  -0.486638D+01  0.396866D+01 -0.366245D+01 -0.144458D+02 -0.304845D+01
      2  -0.648193D+00  0.392398D+01  0.421139D+00 -0.694654D+01 -0.227905D+01
      3   0.551457D+01 -0.789264D+01  0.324131D+01  0.213924D+02  0.532750D+01
      4  -0.228679D+01  0.463376D+01 -0.441053D+01 -0.621739D+01  0.452436D+01
      5  -0.245035D+01  0.112332D+02 -0.306800D+01 -0.154146D+02  0.100994D+02
      6   0.383782D+01 -0.357061D+01  0.543301D+01  0.699951D+01  0.603153D+01
               146           147           148           149           150 
      1  -0.345529D+01 -0.514292D+01 -0.407011D+01 -0.805748D+01 -0.124493D+02
      2   0.747343D+00 -0.214638D+01 -0.103637D+01  0.169176D+01 -0.123056D+01
      3   0.270794D+01  0.728930D+01  0.510649D+01  0.636573D+01  0.136799D+02
      4   0.421183D+01  0.411402D+01  0.311656D+01  0.362808D+01  0.337428D+01
      5   0.580491D+01  0.118128D+02  0.654871D+01  0.559304D+01  0.949350D+01
      6   0.512442D+01  0.680193D+01  0.474402D+01  0.864383D+01  0.110141D+02
               151           152           153           154           155 
      1  -0.765821D+01 -0.126679D+02 -0.268133D+02 -0.646337D-01 -0.503248D+00
      2  -0.266418D+01  0.108024D+01 -0.714680D+01 -0.846968D+01  0.111156D+01
      3   0.103224D+02  0.115877D+02  0.339601D+02  0.853431D+01 -0.608310D+00
      4   0.385866D+01  0.377289D+01  0.409920D+01 -0.372034D+01  0.298993D+01
      5   0.111084D+02  0.721839D+01  0.178875D+02 -0.158852D+02  0.205989D+01
      6   0.713732D+01  0.132472D+02  0.195748D+02  0.721608D+00 -0.253364D+01
               156           157           158           159           160 
      1   0.451786D+01  0.456071D+01 -0.241363D+01 -0.640167D+01  0.391692D+01
      2   0.877026D+01 -0.352138D+00 -0.446998D+00 -0.247577D+01  0.965899D+01
      3  -0.132881D+02 -0.420857D+01  0.286063D+01  0.887744D+01 -0.135759D+02
      4   0.306694D+01  0.109446D+01 -0.134736D+01 -0.304433D+01  0.486619D+01
      5   0.169947D+02  0.219129D+01 -0.308803D+01 -0.393695D+01  0.172016D+02
      6  -0.393923D+00 -0.206113D+01  0.246705D+01  0.410492D+01 -0.315637D+01
               161           162           163           164           165 
      1  -0.342918D+01 -0.212221D+02  0.148773D+02 -0.594358D+00 -0.734284D+01
      2  -0.118790D+01 -0.156901D+02 -0.112234D+02  0.542427D+00  0.606187D+01
      3   0.461708D+01  0.369123D+02 -0.365394D+01  0.519311D-01  0.128097D+01
      4  -0.413900D+01 -0.621947D+01  0.330307D+01  0.690642D+01 -0.595671D+01
      5  -0.412135D+01 -0.254991D+02 -0.155141D+02 -0.527909D+01  0.176189D+02
      6   0.587956D+01  0.608210D+01 -0.370215D+01 -0.238454D+01  0.400886D+01
               166           167           168           169           170 
      1  -0.920924D+01 -0.117669D+01  0.889986D+00 -0.145983D+02  0.117157D+01
      2   0.508469D+01  0.170537D+01 -0.768824D+00  0.121876D+02  0.522748D+00
      3   0.412455D+01 -0.528682D+00 -0.121163D+00  0.241072D+01 -0.169432D+01
      4   0.561538D+01  0.606436D+01 -0.526747D+01 -0.827679D+01 -0.884150D+01
      5  -0.205648D+01 -0.571122D+01  0.108428D+01  0.216734D+02  0.109066D+02
      6  -0.228073D+01 -0.231994D+01  0.539161D+01  0.664322D+01  0.752608D+01
               171           172           173           174           175 
      1  -0.416890D+01  0.871473D+01  0.667674D+01  0.363332D+01  0.888015D+01
      2  -0.112313D+02  0.421563D+00 -0.129714D+01 -0.119325D+01  0.542662D+01
      3   0.154002D+02 -0.913630D+01 -0.537959D+01 -0.244007D+01 -0.143068D+02
      4   0.108177D+02  0.101964D+02  0.130816D+02  0.645045D+00  0.253974D+02
      5  -0.423674D+02  0.467234D+01  0.320841D-01  0.386610D+01  0.166744D+01
      6  -0.142841D+02  0.158182D+01  0.508957D-03  0.642928D+00  0.134094D+01
               176           177           178           179           180 
      1  -0.167631D+02 -0.154986D+01  0.181612D+02 -0.337105D+01  0.592331D-01
      2   0.381541D+02  0.425777D+01 -0.472900D+01  0.803274D+01  0.189816D+01
      3  -0.213910D+02 -0.270791D+01 -0.134322D+02 -0.466169D+01 -0.195739D+01
      4   0.537659D+02  0.621038D+01  0.754415D+01  0.155438D+02  0.828498D+01
      5   0.567182D+01  0.564123D+01  0.922382D+01  0.810825D+01  0.234401D+01
      6   0.304732D+01  0.538706D+01  0.334408D+01  0.742804D+01  0.270407D+01
               181           182           183           184           185 
      1  -0.138647D+02  0.488738D+01  0.137067D+02  0.109782D+02 -0.754386D+01
      2   0.260307D+01 -0.235552D+01 -0.261776D+01 -0.540364D+01  0.295796D+01
      3   0.112616D+02 -0.253186D+01 -0.110890D+02 -0.557452D+01  0.458590D+01
      4   0.579562D+01 -0.229576D+01  0.179436D+01  0.536797D+00 -0.489851D+01
      5   0.704742D+01  0.167852D+01 -0.595963D+01  0.137718D+01  0.368076D+01
      6  -0.346738D+00 -0.508121D+00  0.448864D+00 -0.125975D+01 -0.136787D+00
               186           187           188           189           190 
      1   0.245683D+01  0.224932D+02  0.341978D+01 -0.290450D+02  0.122530D+02
      2  -0.113111D+01 -0.830527D+01 -0.191116D+01 -0.700103D+01 -0.646269D+01
      3  -0.132572D+01 -0.141880D+02 -0.150862D+01  0.360460D+02 -0.579035D+01
      4   0.407789D+01  0.262345D+01  0.714855D+01  0.260224D-01 -0.112946D+02
      5  -0.644423D+00 -0.259055D+01  0.306698D+00  0.474338D+02 -0.155693D+02
      6   0.674549D+01  0.255993D+00  0.364548D+01 -0.137858D+01  0.407315D+01
               191           192           193           194           195 
      1  -0.590517D+01 -0.118245D+02 -0.107995D+01  0.186633D+01 -0.219052D+01
      2   0.114460D+01  0.836472D+01 -0.945286D+00 -0.426511D+00  0.245831D+01
      3   0.476057D+01  0.345974D+01  0.202523D+01 -0.143982D+01 -0.267796D+00
      4   0.111248D+02  0.628851D+01  0.738800D+01 -0.409149D+01 -0.578519D+01
      5   0.370141D+01  0.198206D+02  0.221092D-01 -0.573973D+01 -0.255978D+01
      6  -0.161274D+01 -0.647119D+01 -0.167758D+01  0.205860D+01  0.602781D+01
               196           197           198           199           200 
      1  -0.179151D+02 -0.106973D+01  0.788210D+01  0.315677D+02 -0.200316D+02
      2   0.120270D+02  0.289620D+01 -0.140175D+02 -0.744006D+01  0.682531D+00
      3   0.588805D+01 -0.182648D+01  0.613541D+01 -0.241277D+02  0.193490D+02
      4   0.110297D+02 -0.149797D+02 -0.179471D+02 -0.388330D+02  0.357899D+02
      5   0.246528D+02 -0.138207D+02 -0.538023D+02  0.156540D+02 -0.103373D+02
      6  -0.872707D+01  0.874987D+01  0.203875D+02 -0.774031D+01  0.643197D+01
               201           202           203           204           205 
      1   0.108192D+02 -0.181655D+02  0.101375D+02 -0.371027D+01  0.186562D+02
      2  -0.286203D+01 -0.679027D+00  0.113434D+02 -0.343592D+01 -0.564017D+01
      3  -0.795716D+01  0.188445D+02 -0.214810D+02  0.714619D+01 -0.130161D+02
      4  -0.131078D+02  0.365007D+02 -0.443713D+02  0.183294D+02 -0.232949D+02
      5   0.149462D+02 -0.114809D+02  0.163280D+02 -0.120838D+02  0.205802D+02
      6  -0.739750D+01  0.779301D+01 -0.113575D+02  0.877521D+01 -0.101438D+02
               206           207           208           209           210 
      1  -0.589594D+01  0.937071D+01 -0.551811D+02 -0.236967D+02 -0.130094D+01
      2  -0.451395D+01 -0.381211D+01  0.322902D+02  0.206089D+02  0.104091D+01
      3   0.104099D+02 -0.555860D+01  0.228909D+02  0.308779D+01  0.260025D+00
      4   0.298548D+02 -0.196879D+02  0.492463D+01 -0.102942D+02 -0.187405D+01
      5  -0.166242D+02  0.162287D+02 -0.174023D+01 -0.264114D+01 -0.157334D+01
      6   0.114896D+02 -0.993102D+01 -0.158029D+01 -0.556296D+00  0.235995D+01
               211           212           213           214           215 
      1  -0.194455D+02 -0.191251D+02 -0.124879D+01 -0.170332D+01 -0.135016D+00
      2   0.156131D+02  0.182463D+02  0.799714D-01  0.166960D+01 -0.272708D+00
      3   0.383231D+01  0.878855D+00  0.116882D+01  0.337195D-01  0.407724D+00
      4  -0.514449D+00 -0.657282D+01  0.176239D+01 -0.737418D+00  0.321346D+01
      5  -0.151069D+01  0.109547D+01 -0.227235D+01  0.231899D+01 -0.407730D+01
      6   0.738598D+00 -0.607834D+00  0.313745D+01  0.139905D+01  0.440960D+01
               216           217           218           219           220 
      1  -0.383985D+01  0.399763D+02  0.145356D+01 -0.232611D+02 -0.487529D+01
      2   0.190049D+01 -0.214620D+02  0.118907D+00  0.113995D+02  0.401604D+01
      3   0.193936D+01 -0.185143D+02 -0.157247D+01  0.118616D+02  0.859251D+00
      4  -0.402962D+01  0.321387D+01  0.779568D+01 -0.559791D+01  0.129039D+02
      5  -0.389524D+01 -0.229852D+02 -0.488970D+01  0.256858D+02 -0.421117D+01
      6   0.931665D+00 -0.309386D+01 -0.404346D+00  0.264137D+01 -0.128871D+01
               221           222           223           224           225 
      1   0.777987D+01 -0.385001D+01 -0.533837D+02 -0.952637D+01  0.335062D+02
      2  -0.254175D+01  0.166800D+01  0.277756D+02  0.411972D+01 -0.209009D+02
      3  -0.523812D+01  0.218201D+01  0.256081D+02  0.540665D+01 -0.126052D+02
      4   0.885600D+01 -0.571786D+01 -0.125805D+02 -0.132947D+02  0.763263D+01
      5  -0.514151D+01  0.223737D+01  0.413326D+02  0.720106D+01 -0.602110D+02
      6   0.124125D+00  0.404707D+01  0.389046D+01  0.398615D+01 -0.733030D+01
               226           227           228           229           230 
      1   0.229773D+01  0.981801D+01  0.514968D+01  0.231409D+02  0.569870D+01
      2   0.468485D+00 -0.395511D+01 -0.245591D+01 -0.775150D+01  0.131201D+02
      3  -0.276622D+01 -0.586290D+01 -0.269377D+01 -0.153894D+02 -0.188188D+02
      4   0.902453D+01  0.982027D+01  0.207535D+01  0.329787D+02  0.810477D+02
      5   0.511010D+01  0.240197D+01  0.633346D+01  0.103161D+02  0.274872D+02
      6   0.250783D+01  0.871020D+00  0.318781D+00  0.588982D+01  0.173945D+02
               231           232           233           234           235 
      1  -0.622658D+00  0.110723D+02 -0.178867D+01  0.649574D+01  0.804856D+02
      2   0.227479D+01 -0.618694D+01  0.251079D+01 -0.436909D+01 -0.460278D+02
      3  -0.165214D+01 -0.488539D+01 -0.722112D+00 -0.212665D+01 -0.344577D+02
      4   0.261664D+02  0.816379D+01  0.268209D+02  0.174198D+02 -0.234319D+02
      5   0.197310D+02  0.169314D+02  0.181803D+02  0.143802D+02  0.381510D+02
      6   0.107479D+02  0.367217D+01  0.110466D+02  0.729538D+01 -0.334485D+01
               236           237           238           239           240 
      1  -0.233701D+02  0.291615D+02 -0.564589D+02  0.189119D+02 -0.182000D+02
      2   0.135890D+02 -0.190157D+02  0.315379D+02 -0.944268D+01  0.129229D+02
      3   0.978109D+01 -0.101458D+02  0.249211D+02 -0.946922D+01  0.527709D+01
      4   0.171404D+02 -0.106279D+02  0.267612D+02 -0.201541D+02  0.170941D+02
      5  -0.125279D+02  0.292971D+02 -0.261892D+02  0.180816D+02 -0.201740D+02
      6   0.225285D+01 -0.670048D+00  0.492327D+01 -0.365621D+01  0.434251D+01
               241           242           243           244           245 
      1   0.467584D+02 -0.111771D+02  0.302121D+02  0.232190D+01  0.708949D+00
      2  -0.304683D+02  0.883576D+01 -0.231925D+02 -0.325954D+01 -0.262248D-01
      3  -0.162902D+02  0.234138D+01 -0.701961D+01  0.937634D+00 -0.682725D+00
      4  -0.130330D+02  0.182631D+02 -0.110117D+02  0.532682D+01  0.735340D+01
      5   0.446403D+02 -0.122296D+02  0.323656D+02  0.132132D+02  0.418506D+01
      6  -0.191415D+01  0.481954D+01 -0.312387D+01  0.594839D+01  0.152324D+01
               246           247           248           249           250 
      1   0.801001D+01 -0.490862D+00 -0.853283D+00 -0.138704D+01  0.102092D+02
      2  -0.482480D+01  0.144126D+01  0.294931D+01  0.154683D+01 -0.750806D+01
      3  -0.318521D+01 -0.950396D+00 -0.209602D+01 -0.159781D+00 -0.270112D+01
      4   0.459463D+01  0.108596D+02  0.113557D+02  0.840074D+01  0.650608D+01
      5   0.112319D+02  0.518567D+01  0.876001D+01  0.119092D+02  0.157910D+02
      6   0.333369D+01  0.314516D+01  0.612641D+01  0.918856D+01  0.525857D+01
               251           252           253           254           255 
      1  -0.343059D+01 -0.384226D+01 -0.439959D+02 -0.479456D+02  0.821644D+01
      2   0.156767D+01 -0.665578D+01  0.292418D+01  0.333274D+02  0.168179D+01
      3   0.186292D+01  0.104980D+02  0.410717D+02  0.146183D+02 -0.989823D+01
      4   0.121168D+02  0.128538D+02 -0.612024D+02 -0.104306D+02  0.640955D+01
      5   0.123869D+02  0.353937D+02  0.138559D+02  0.994044D+01  0.560467D+01
      6   0.849297D+01  0.159473D+02  0.672159D+01  0.853233D+00  0.297490D+01
               256           257           258           259           260 
      1  -0.365608D+02  0.138329D+02  0.122872D+02 -0.211777D+01  0.141762D+02
      2   0.290575D+02 -0.177086D+02 -0.479068D+01  0.187101D+01 -0.126215D+02
      3   0.750337D+01  0.387572D+01 -0.749650D+01  0.246764D+00 -0.155472D+01
      4   0.529417D+01  0.564237D+01 -0.927300D+01 -0.565792D+01 -0.172823D+02
      5   0.152806D+01 -0.143192D+02  0.152766D+02  0.141934D+02  0.152476D+02
      6  -0.646524D+01 -0.934038D+01  0.131998D+02  0.108783D+02  0.154489D+02
               261           262           263           264           265 
      1   0.919793D+01  0.332915D+02 -0.243030D+02  0.614151D+01 -0.273088D+02
      2   0.138489D+02 -0.877691D+01  0.455314D+01 -0.229562D+01  0.153265D+01
      3  -0.230468D+02 -0.245145D+02  0.197498D+02 -0.384589D+01  0.257761D+02
      4   0.205005D+02 -0.366987D+02  0.344558D+02 -0.761398D+01  0.479156D+02
      5   0.143832D+02  0.125586D+02 -0.893765D+01  0.888700D+01 -0.124907D+02
      6   0.421027D+01 -0.468656D+01  0.443643D+01 -0.254035D+01  0.589616D+01
               266           267           268           269           270 
      1   0.218996D+02 -0.471457D+01 -0.713312D+01  0.670152D+01  0.157309D+01
      2   0.785013D+01  0.719648D+00 -0.736478D+00  0.147687D+01 -0.331397D+00
      3  -0.297498D+02  0.399492D+01  0.786960D+01 -0.817839D+01 -0.124170D+01
      4  -0.609484D+02  0.119553D+02  0.102200D+02 -0.112642D+02 -0.480721D+01
      5   0.140457D+02 -0.122775D+02  0.480200D+01 -0.437641D+01  0.407157D+01
      6  -0.884702D+01  0.536506D+01 -0.214220D+01  0.325311D+01 -0.152069D+01
               271           272           273           274           275 
      1  -0.123072D+02  0.267674D+02 -0.183745D+01  0.177051D+02 -0.367841D+02
      2   0.148874D+02 -0.294208D+02 -0.462207D-01 -0.162415D+02  0.513076D+02
      3  -0.258011D+01  0.265349D+01  0.188367D+01 -0.146367D+01 -0.145235D+02
      4   0.256650D+01 -0.495735D+01  0.122158D+01  0.383941D+01  0.214407D+02
      5   0.259222D+01 -0.260762D+01 -0.306171D+01 -0.374995D+01  0.421192D+01
      6  -0.124308D+01  0.407821D+01 -0.466638D+01  0.131860D+01 -0.604765D+01
               276           277           278           279           280 
      1   0.121689D+00  0.353007D+01 -0.583512D+01 -0.659318D+01  0.129615D+01
      2   0.594421D+00 -0.242756D+01  0.921995D+01  0.443954D+01 -0.226272D+01
      3  -0.716110D+00 -0.110251D+01 -0.338483D+01  0.215364D+01  0.966576D+00
      4  -0.198717D+00  0.166254D+01  0.749857D+01 -0.756012D+00  0.277808D+01
      5   0.244317D+01 -0.162473D+01  0.185466D+01  0.704790D+00 -0.406924D+01
      6   0.550708D+01 -0.305031D+01  0.494794D+01  0.787584D+00 -0.202515D+01
               281           282           283           284           285 
      1   0.478169D+01 -0.793116D+01 -0.794173D+00 -0.321599D+01 -0.265535D+01
      2  -0.446364D+01  0.109249D+01 -0.131225D+01 -0.503293D+00 -0.365167D+01
      3  -0.318044D+00  0.683868D+01  0.210642D+01  0.371928D+01  0.630702D+01
      4   0.401843D+00 -0.257533D+01 -0.174635D+01 -0.612922D+01 -0.176567D+01
      5  -0.476524D+00 -0.410643D+00  0.133998D+01 -0.748013D+00 -0.739499D+01
      6   0.143164D+01 -0.285986D+01  0.118638D+01  0.151605D+01 -0.799552D+00
               286           287           288           289           290 
      1  -0.855933D+01  0.180601D+01 -0.185330D+02  0.795458D+02  0.260743D+02
      2   0.324007D+01 -0.545861D+01 -0.145775D+02 -0.247184D+02 -0.124525D+01
      3   0.531926D+01  0.365259D+01  0.331106D+02 -0.548274D+02 -0.248291D+02
      4  -0.587345D+01 -0.842016D+01 -0.293121D+01  0.699443D+02  0.405332D+02
      5   0.542626D+01  0.543156D+00 -0.328489D+02 -0.222452D+02 -0.106563D+02
      6   0.490746D+00  0.473718D+01 -0.195517D+02 -0.918215D+01 -0.716567D+01
               291           292           293           294           295 
      1  -0.587096D+01  0.173569D+02  0.953545D+01 -0.195142D+01  0.109104D+01
      2   0.229858D+01  0.917477D+00  0.651328D+01  0.950007D-01  0.131198D+01
      3   0.357237D+01 -0.182744D+02 -0.160487D+02  0.185642D+01 -0.240302D+01
      4  -0.966693D+01  0.321344D+02  0.254377D+02 -0.361694D+01  0.957150D-01
      5   0.133078D+02 -0.652809D+01 -0.365449D+01  0.329351D+01  0.118844D+02
      6   0.742102D+01 -0.453358D+01 -0.395543D+01  0.268545D+01  0.598795D+01
               296           297 
      1  -0.119420D+01  0.576538D+01
      2   0.227802D+01 -0.433261D+01
      3  -0.108382D+01 -0.143278D+01
      4   0.159335D+01  0.579494D+01
      5   0.440645D+01 -0.486772D+01
      6   0.305597D+01 -0.240607D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170670D+03      0.252906D+02      0.281396D+02
   aniso      0.837362D+02      0.124084D+02      0.138062D+02
   xx         0.224109D+03      0.332095D+02      0.369505D+02
   yx         0.924788D+01      0.137039D+01      0.152477D+01
   yy         0.137565D+03      0.203851D+02      0.226815D+02
   zx        -0.438056D+01     -0.649131D+00     -0.722256D+00
   zy         0.706959D+01      0.104761D+01      0.116562D+01
   zz         0.150335D+03      0.222774D+02      0.247869D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170670D+03      0.252906D+02      0.281396D+02
   aniso      0.837362D+02      0.124084D+02      0.138062D+02
   xx         0.191315D+03      0.283500D+02      0.315436D+02
   yx         0.147716D+02      0.218893D+01      0.243551D+01
   yy         0.137158D+03      0.203247D+02      0.226143D+02
   zx        -0.348357D+02     -0.516212D+01     -0.574363D+01
   zy        -0.693689D+01     -0.102794D+01     -0.114374D+01
   zz         0.183536D+03      0.271972D+02      0.302610D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-34\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.646549,-0.738131,-0.801564\C,-1.432592,-0.511522,0.329
 783\C,0.68001,-0.338401,-0.847846\C,1.266867,0.302071,0.243935\C,0.492
 409,0.520436,1.377965\C,-0.838534,0.122026,1.41791\C,-2.882387,-0.9136
 37,0.347539\C,-3.797679,0.013396,-0.476375\C,-3.787727,1.442814,0.0618
 06\C,-5.218015,-0.547768,-0.52076\C,2.71306,0.76711,0.19183\C,3.602939
 ,-0.42927,-0.086386\O,3.981236,-0.787282,-1.17171\O,3.915201,-1.096316
 ,1.047826\H,-1.080077,-1.240686,-1.658424\H,1.270566,-0.537518,-1.7332
 03\H,0.933056,1.005917,2.240389\H,-1.424007,0.306057,2.310676\H,-3.244
 624,-0.936082,1.379648\H,-2.980608,-1.931165,-0.04143\H,-3.406098,0.03
 4214,-1.499523\H,-4.163541,1.470389,1.088857\H,-4.425556,2.090476,-0.5
 42757\H,-2.782177,1.864314,0.062741\H,-5.646809,-0.595436,0.484188\H,-
 5.235024,-1.556669,-0.938514\H,-5.870883,0.08041,-1.129959\H,2.976513,
 1.139253,1.182625\C,2.933498,1.865447,-0.850054\H,4.436417,-1.871707,0
 .786177\H,2.278614,2.710285,-0.637065\H,2.713092,1.4975,-1.850637\H,3.
 967865,2.211791,-0.839432\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.
 0243758\RMSD=9.069e-09\RMSF=3.633e-06\ZeroPoint=0.2841143\Thermal=0.29
 9817\Dipole=-0.3951974,0.1164792,0.4672663\DipoleDeriv=-0.1300535,0.03
 5352,0.0231723,0.0277115,-0.066299,0.0710308,0.084727,0.0942769,0.0467
 666,0.3315175,0.0470541,0.0211744,0.1134197,-0.067765,0.0243013,0.0242
 605,0.0187992,-0.0821011,-0.1034301,-0.0048859,-0.033065,-0.007702,-0.
 0932587,0.0401624,-0.0660876,0.0327982,-0.0018166,0.2700829,0.0609446,
 -0.0697346,0.1762475,-0.1152362,-0.0209535,-0.0088253,0.005423,-0.0727
 68,-0.0736012,0.035675,0.0491157,0.0426434,-0.0667473,0.0731865,0.0016
 126,0.0729834,0.0581552,-0.1512521,-0.0050104,-0.0766408,-0.061504,-0.
 0995636,0.0487704,-0.1036786,0.0264885,0.0389577,0.0000628,-0.0039896,
 -0.0546494,0.0945721,0.1161084,0.018528,-0.1547335,-0.0152173,0.142232
 2,0.1505204,0.0011282,0.0256971,-0.125619,0.1192031,0.016464,0.1132001
 ,0.0330648,0.0878038,0.0211728,-0.036928,-0.0300422,0.0034588,-0.03256
 7,-0.0440273,-0.0567937,-0.0183855,0.1177777,-0.0131453,-0.033256,-0.0
 118006,0.0471366,0.081256,0.0038914,-0.0692321,-0.0131199,0.1305777,-0
 .0940462,0.1396574,0.0550179,0.0771689,0.0579967,-0.0168536,0.1537497,
 -0.0222128,0.0898916,0.8599275,-0.4916786,-0.0403988,-0.8751121,0.8255
 846,-0.1968823,-0.0757714,-0.2606198,1.5274087,-0.6421747,0.1686273,0.
 2382059,0.360192,-0.5503473,-0.1836029,0.2193736,0.0370335,-0.9635766,
 -0.5414177,0.1703208,-0.2574121,0.3049147,-0.5924308,0.4621304,-0.2753
 427,0.3488926,-0.8973666,0.0295007,-0.0572005,-0.0553338,-0.0652477,0.
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 0000003,-0.00000036\\\@


 Experience is what you get when you don't get what you want.
 -- Dan Stanford
 Job cpu time:       0 days 12 hours 59 minutes 14.1 seconds.
 Elapsed time:       0 days  1 hours 53 minutes  4.5 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:22:44 2021.
